From 03b675eba8a1d6d570e6c928d2b3fc0960d2e556 Mon Sep 17 00:00:00 2001 From: "Kurt A. O'Hearn" <ohearnku@msu.edu> Date: Tue, 11 Jul 2017 13:29:40 -0400 Subject: [PATCH] Add small water system (300 atoms). --- data/benchmarks/water/water_300.fgeo | 609 +++++++++++++++++++++++++++ data/benchmarks/water/water_300.pdb | 601 ++++++++++++++++++++++++++ 2 files changed, 1210 insertions(+) create mode 100644 data/benchmarks/water/water_300.fgeo create mode 100644 data/benchmarks/water/water_300.pdb diff --git a/data/benchmarks/water/water_300.fgeo b/data/benchmarks/water/water_300.fgeo new file mode 100644 index 00000000..b4d7e776 --- /dev/null +++ b/data/benchmarks/water/water_300.fgeo @@ -0,0 +1,609 @@ +XTLGRF 200 +DESCRP Water_100 +CRYSTX 14.42850 14.42850 14.42850 90.00000 90.00000 90.00000 +FORMAT ATOM (a6,1x,i5,1x,a5,1x,a3,1x,a1,1x,a5,3f10.5,1x,a5,i3,i2,1x,f8.5) +HETATM 1 H 11.89039 10.92609 13.94080 H 1 1 0.00000 +HETATM 2 O 11.48174 10.12782 14.41875 O 1 1 0.00000 +HETATM 3 H 10.83496 9.73341 13.78769 H 1 1 0.00000 +HETATM 4 H 2.00369 4.19589 2.76519 H 1 1 0.00000 +HETATM 5 O 1.16011 3.84526 2.27866 O 1 1 0.00000 +HETATM 6 H 1.36455 3.81098 1.28883 H 1 1 0.00000 +HETATM 7 H 2.59208 5.44424 7.09101 H 1 1 0.00000 +HETATM 8 O 2.09827 6.13339 7.66317 O 1 1 0.00000 +HETATM 9 H 1.62871 5.62610 8.41737 H 1 1 0.00000 +HETATM 10 H 10.77665 13.12885 6.46024 H 1 1 0.00000 +HETATM 11 O 9.94049 13.65955 6.69782 O 1 1 0.00000 +HETATM 12 H 9.30917 13.61265 5.90504 H 1 1 0.00000 +HETATM 13 H 2.77812 13.66632 0.84928 H 1 1 0.00000 +HETATM 14 O 3.44667 12.93128 0.76392 O 1 1 0.00000 +HETATM 15 H 2.93625 12.14380 0.38234 H 1 1 0.00000 +HETATM 16 H 11.96547 7.16313 1.46613 H 1 1 0.00000 +HETATM 17 O 11.07002 7.58925 1.53798 O 1 1 0.00000 +HETATM 18 H 11.13244 8.44464 1.03346 H 1 1 0.00000 +HETATM 19 H 0.48826 6.53943 1.34756 H 1 1 0.00000 +HETATM 20 O 13.90379 6.37087 1.42594 O 1 1 0.00000 +HETATM 21 H 13.74365 5.86742 2.31008 H 1 1 0.00000 +HETATM 22 H 1.73785 11.50613 9.64343 H 1 1 0.00000 +HETATM 23 O 1.63467 12.40948 10.06792 O 1 1 0.00000 +HETATM 24 H 2.56767 12.80601 10.10735 H 1 1 0.00000 +HETATM 25 H 8.26956 1.06471 5.41504 H 1 1 0.00000 +HETATM 26 O 8.41719 2.01731 5.62797 O 1 1 0.00000 +HETATM 27 H 9.36905 2.19380 5.39265 H 1 1 0.00000 +HETATM 28 H 1.74090 10.02796 13.76343 H 1 1 0.00000 +HETATM 29 O 1.66864 10.87180 14.31579 O 1 1 0.00000 +HETATM 30 H 1.27167 10.63186 0.81033 H 1 1 0.00000 +HETATM 31 H 5.16473 13.77242 9.92069 H 1 1 0.00000 +HETATM 32 O 4.36013 13.49093 10.41874 O 1 1 0.00000 +HETATM 33 H 4.68160 12.78804 11.04842 H 1 1 0.00000 +HETATM 34 H 6.53736 11.60845 12.46428 H 1 1 0.00000 +HETATM 35 O 5.55387 11.48598 12.25238 O 1 1 0.00000 +HETATM 36 H 5.15747 11.04335 13.06629 H 1 1 0.00000 +HETATM 37 H 8.14741 2.86791 11.05447 H 1 1 0.00000 +HETATM 38 O 8.16028 2.78040 12.09376 O 1 1 0.00000 +HETATM 39 H 8.83238 2.07204 12.33207 H 1 1 0.00000 +HETATM 40 H 9.13243 13.28408 11.90437 H 1 1 0.00000 +HETATM 41 O 9.17499 14.15344 11.40697 O 1 1 0.00000 +HETATM 42 H 8.47943 14.08442 10.69137 H 1 1 0.00000 +HETATM 43 H 0.23824 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8.94546 H 1 1 0.00000 +HETATM 253 H 6.73954 2.71646 6.09963 H 1 1 0.00000 +HETATM 254 O 5.87849 2.98427 6.57622 O 1 1 0.00000 +HETATM 255 H 5.86319 2.44790 7.43512 H 1 1 0.00000 +HETATM 256 H 11.73884 10.41650 5.32398 H 1 1 0.00000 +HETATM 257 O 11.48991 9.82602 4.52549 O 1 1 0.00000 +HETATM 258 H 11.01906 10.42292 3.80910 H 1 1 0.00000 +HETATM 259 H 9.98869 0.74828 12.70919 H 1 1 0.00000 +HETATM 260 O 10.45096 1.32190 13.41525 O 1 1 0.00000 +HETATM 261 H 11.23829 0.79573 13.76925 H 1 1 0.00000 +HETATM 262 H 12.57274 5.12722 0.73865 H 1 1 0.00000 +HETATM 263 O 11.97733 4.34276 0.52257 O 1 1 0.00000 +HETATM 264 H 11.30969 4.65317 14.26280 H 1 1 0.00000 +HETATM 265 H 7.91645 13.32420 1.41435 H 1 1 0.00000 +HETATM 266 O 8.89756 13.11488 1.27891 O 1 1 0.00000 +HETATM 267 H 9.40012 13.90279 1.63934 H 1 1 0.00000 +HETATM 268 H 8.22909 7.97370 6.78129 H 1 1 0.00000 +HETATM 269 O 8.03768 7.50121 7.65443 O 1 1 0.00000 +HETATM 270 H 8.69777 6.71196 7.68665 H 1 1 0.00000 +HETATM 271 H 9.83539 7.18529 4.88263 H 1 1 0.00000 +HETATM 272 O 9.52308 8.09659 5.21710 O 1 1 0.00000 +HETATM 273 H 10.30574 8.75913 5.08506 H 1 1 0.00000 +HETATM 274 H 13.49921 8.96203 11.34116 H 1 1 0.00000 +HETATM 275 O 12.63568 8.40513 11.53312 O 1 1 0.00000 +HETATM 276 H 12.92814 7.62639 12.15442 H 1 1 0.00000 +HETATM 277 H 3.82276 1.98527 10.69374 H 1 1 0.00000 +HETATM 278 O 4.62133 2.57412 10.64115 O 1 1 0.00000 +HETATM 279 H 5.00790 2.52878 11.54974 H 1 1 0.00000 +HETATM 280 H 8.24503 7.73191 14.26742 H 1 1 0.00000 +HETATM 281 O 8.48165 8.53718 13.73491 O 1 1 0.00000 +HETATM 282 H 9.09857 8.20948 13.00581 H 1 1 0.00000 +HETATM 283 H 6.22243 1.92792 3.01889 H 1 1 0.00000 +HETATM 284 O 6.85380 1.17056 2.90634 O 1 1 0.00000 +HETATM 285 H 7.64778 1.53548 2.36934 H 1 1 0.00000 +HETATM 286 H 11.03544 1.05483 3.44376 H 1 1 0.00000 +HETATM 287 O 11.19683 0.23796 2.88529 O 1 1 0.00000 +HETATM 288 H 11.87807 14.14934 3.38075 H 1 1 0.00000 +HETATM 289 H 12.41022 12.31821 9.55828 H 1 1 0.00000 +HETATM 290 O 13.03689 12.77834 8.89232 O 1 1 0.00000 +HETATM 291 H 13.96832 12.65154 9.23065 H 1 1 0.00000 +HETATM 292 H 2.58384 6.43112 11.64218 H 1 1 0.00000 +HETATM 293 O 1.86887 5.75557 11.87050 O 1 1 0.00000 +HETATM 294 H 1.67388 5.25208 11.01503 H 1 1 0.00000 +HETATM 295 H 9.65594 12.26476 7.83473 H 1 1 0.00000 +HETATM 296 O 9.35766 11.64534 8.59312 O 1 1 0.00000 +HETATM 297 H 10.13727 11.56682 9.24787 H 1 1 0.00000 +HETATM 298 H 6.84946 5.86221 4.23984 H 1 1 0.00000 +HETATM 299 O 6.18241 6.56040 4.62743 O 1 1 0.00000 +HETATM 300 H 5.83272 6.21373 5.51267 H 1 1 0.00000 +FORMAT CONECT (a6,12i6) +CONECT 1 2 +CONECT 2 1 3 +CONECT 3 2 +CONECT 4 5 143 +CONECT 5 4 6 +CONECT 6 5 +CONECT 7 8 +CONECT 8 7 9 +CONECT 9 8 +CONECT 10 11 +CONECT 11 10 12 +CONECT 12 11 +CONECT 13 14 +CONECT 14 13 15 +CONECT 15 14 +CONECT 16 17 +CONECT 17 16 18 +CONECT 18 17 +CONECT 19 20 +CONECT 20 19 21 +CONECT 21 20 +CONECT 22 23 +CONECT 23 22 24 +CONECT 24 23 +CONECT 25 26 +CONECT 26 25 27 +CONECT 27 26 +CONECT 28 29 +CONECT 29 28 30 +CONECT 30 29 +CONECT 31 32 +CONECT 32 31 33 +CONECT 33 32 +CONECT 34 35 +CONECT 35 34 36 148 +CONECT 36 35 +CONECT 37 38 191 +CONECT 38 37 39 111 +CONECT 39 38 +CONECT 40 41 +CONECT 41 40 42 +CONECT 42 41 +CONECT 43 44 +CONECT 44 43 45 189 +CONECT 45 44 +CONECT 46 47 209 +CONECT 47 46 48 177 +CONECT 48 47 263 +CONECT 49 50 266 +CONECT 50 49 51 258 +CONECT 51 50 +CONECT 52 53 +CONECT 53 52 54 +CONECT 54 53 +CONECT 55 56 +CONECT 56 55 57 +CONECT 57 56 +CONECT 58 59 +CONECT 59 58 60 +CONECT 60 59 +CONECT 61 62 +CONECT 62 61 63 +CONECT 63 62 +CONECT 64 65 +CONECT 65 64 66 192 +CONECT 66 65 278 +CONECT 67 68 +CONECT 68 67 69 +CONECT 69 68 +CONECT 70 71 +CONECT 71 70 72 +CONECT 72 71 +CONECT 73 74 +CONECT 74 73 75 +CONECT 75 74 +CONECT 76 77 +CONECT 77 76 78 276 +CONECT 78 77 +CONECT 79 80 +CONECT 80 79 81 +CONECT 81 80 +CONECT 82 83 +CONECT 83 82 84 +CONECT 84 83 +CONECT 85 86 +CONECT 86 85 87 +CONECT 87 86 215 +CONECT 88 89 +CONECT 89 88 90 +CONECT 90 89 +CONECT 91 92 +CONECT 92 91 93 +CONECT 93 92 +CONECT 94 95 +CONECT 95 94 96 +CONECT 96 95 +CONECT 97 98 290 +CONECT 98 97 99 +CONECT 99 98 +CONECT 100 101 +CONECT 101 100 102 +CONECT 102 101 +CONECT 103 104 +CONECT 104 103 105 +CONECT 105 104 +CONECT 106 107 +CONECT 107 106 108 150 +CONECT 108 107 +CONECT 109 110 +CONECT 110 109 111 +CONECT 111 38 110 +CONECT 112 113 +CONECT 113 112 114 +CONECT 114 113 +CONECT 115 116 +CONECT 116 115 117 +CONECT 117 116 +CONECT 118 119 +CONECT 119 118 120 +CONECT 120 119 128 +CONECT 121 122 +CONECT 122 121 123 180 +CONECT 123 122 170 +CONECT 124 125 +CONECT 125 124 126 +CONECT 126 125 +CONECT 127 128 +CONECT 128 120 127 129 +CONECT 129 128 +CONECT 130 131 +CONECT 131 130 132 +CONECT 132 131 284 +CONECT 133 134 +CONECT 134 133 135 +CONECT 135 134 +CONECT 136 137 +CONECT 137 136 138 +CONECT 138 137 +CONECT 139 140 +CONECT 140 139 141 +CONECT 141 140 +CONECT 142 143 173 +CONECT 143 4 142 144 +CONECT 144 143 +CONECT 145 146 +CONECT 146 145 147 +CONECT 147 146 +CONECT 148 35 149 +CONECT 149 148 150 +CONECT 150 107 149 +CONECT 151 152 +CONECT 152 151 153 +CONECT 153 152 +CONECT 154 155 +CONECT 155 154 156 +CONECT 156 155 +CONECT 157 158 +CONECT 158 157 159 208 +CONECT 159 158 +CONECT 160 161 +CONECT 161 160 162 +CONECT 162 161 +CONECT 163 164 +CONECT 164 163 165 +CONECT 165 164 +CONECT 166 167 +CONECT 167 166 168 +CONECT 168 167 +CONECT 169 170 +CONECT 170 123 169 171 +CONECT 171 170 +CONECT 172 173 +CONECT 173 142 172 174 +CONECT 174 173 +CONECT 175 176 +CONECT 176 175 177 +CONECT 177 47 176 +CONECT 178 179 +CONECT 179 178 180 274 +CONECT 180 122 179 +CONECT 181 182 +CONECT 182 181 183 252 +CONECT 183 182 +CONECT 184 185 +CONECT 185 184 186 +CONECT 186 185 +CONECT 187 188 +CONECT 188 187 189 +CONECT 189 44 188 +CONECT 190 191 +CONECT 191 37 190 192 +CONECT 192 65 191 +CONECT 193 194 +CONECT 194 193 195 +CONECT 195 194 +CONECT 196 197 +CONECT 197 196 198 +CONECT 198 197 +CONECT 199 200 +CONECT 200 199 201 +CONECT 201 200 +CONECT 202 203 +CONECT 203 202 204 +CONECT 204 203 +CONECT 205 206 +CONECT 206 205 207 +CONECT 207 206 +CONECT 208 158 209 +CONECT 209 46 208 210 +CONECT 210 209 +CONECT 211 212 +CONECT 212 211 213 +CONECT 213 212 +CONECT 214 215 +CONECT 215 87 214 216 +CONECT 216 215 +CONECT 217 218 +CONECT 218 217 219 +CONECT 219 218 +CONECT 220 221 +CONECT 221 220 222 +CONECT 222 221 +CONECT 223 224 +CONECT 224 223 225 +CONECT 225 224 +CONECT 226 227 +CONECT 227 226 228 +CONECT 228 227 +CONECT 229 230 +CONECT 230 229 231 +CONECT 231 230 +CONECT 232 233 +CONECT 233 232 234 +CONECT 234 233 +CONECT 235 236 +CONECT 236 235 237 +CONECT 237 236 +CONECT 238 239 +CONECT 239 238 240 +CONECT 240 239 +CONECT 241 242 +CONECT 242 241 243 +CONECT 243 242 +CONECT 244 245 +CONECT 245 244 246 +CONECT 246 245 +CONECT 247 248 296 +CONECT 248 247 249 +CONECT 249 248 +CONECT 250 251 +CONECT 251 250 252 +CONECT 252 182 251 +CONECT 253 254 +CONECT 254 253 255 +CONECT 255 254 +CONECT 256 257 +CONECT 257 256 258 273 +CONECT 258 50 257 +CONECT 259 260 +CONECT 260 259 261 +CONECT 261 260 +CONECT 262 263 +CONECT 263 48 262 264 +CONECT 264 263 +CONECT 265 266 +CONECT 266 49 265 267 +CONECT 267 266 +CONECT 268 269 +CONECT 269 268 270 +CONECT 270 269 +CONECT 271 272 +CONECT 272 271 273 +CONECT 273 257 272 +CONECT 274 179 275 +CONECT 275 274 276 +CONECT 276 77 275 +CONECT 277 278 +CONECT 278 66 277 279 +CONECT 279 278 +CONECT 280 281 +CONECT 281 280 282 +CONECT 282 281 +CONECT 283 284 +CONECT 284 132 283 285 +CONECT 285 284 +CONECT 286 287 +CONECT 287 286 288 +CONECT 288 287 +CONECT 289 290 +CONECT 290 97 289 291 +CONECT 291 290 +CONECT 292 293 +CONECT 293 292 294 +CONECT 294 293 +CONECT 295 296 +CONECT 296 247 295 297 +CONECT 297 296 +CONECT 298 299 +CONECT 299 298 300 +CONECT 300 299 +UNIT ENERGY kcal +ENERGY -26333.776190 +END + diff --git a/data/benchmarks/water/water_300.pdb b/data/benchmarks/water/water_300.pdb new file mode 100644 index 00000000..bd5fc228 --- /dev/null +++ b/data/benchmarks/water/water_300.pdb @@ -0,0 +1,601 @@ +CRYST1 14.4285 14.4285 14.4285 90.00 90.00 90.00 0 +ATOM 1 H REX 1 11.8903910.9260913.94080 1.00 0.00 0 H +ATOM 2 O REX 1 11.4817410.1278214.41875 1.00 0.00 0 O +ATOM 3 H REX 1 10.83496 9.7334113.78769 1.00 0.00 0 H +ATOM 4 H REX 1 2.00369 4.19589 2.76519 1.00 0.00 0 H +ATOM 5 O REX 1 1.16011 3.84526 2.27866 1.00 0.00 0 O +ATOM 6 H REX 1 1.36455 3.81098 1.28883 1.00 0.00 0 H +ATOM 7 H REX 1 2.59208 5.44424 7.09101 1.00 0.00 0 H +ATOM 8 O REX 1 2.09827 6.13339 7.66317 1.00 0.00 0 O +ATOM 9 H REX 1 1.62871 5.62610 8.41737 1.00 0.00 0 H +ATOM 10 H REX 1 10.7766513.12885 6.46024 1.00 0.00 0 H +ATOM 11 O REX 1 9.9404913.65955 6.69782 1.00 0.00 0 O +ATOM 12 H REX 1 9.3091713.61265 5.90504 1.00 0.00 0 H +ATOM 13 H REX 1 2.7781213.66632 0.84928 1.00 0.00 0 H +ATOM 14 O REX 1 3.4466712.93128 0.76392 1.00 0.00 0 O +ATOM 15 H REX 1 2.9362512.14380 0.38234 1.00 0.00 0 H +ATOM 16 H REX 1 11.96547 7.16313 1.46613 1.00 0.00 0 H +ATOM 17 O REX 1 11.07002 7.58925 1.53798 1.00 0.00 0 O +ATOM 18 H REX 1 11.13244 8.44464 1.03346 1.00 0.00 0 H +ATOM 19 H REX 1 0.48826 6.53943 1.34756 1.00 0.00 0 H +ATOM 20 O REX 1 13.90379 6.37087 1.42594 1.00 0.00 0 O +ATOM 21 H REX 1 13.74365 5.86742 2.31008 1.00 0.00 0 H +ATOM 22 H REX 1 1.7378511.50613 9.64343 1.00 0.00 0 H +ATOM 23 O REX 1 1.6346712.4094810.06792 1.00 0.00 0 O +ATOM 24 H REX 1 2.5676712.8060110.10735 1.00 0.00 0 H +ATOM 25 H REX 1 8.26956 1.06471 5.41504 1.00 0.00 0 H +ATOM 26 O REX 1 8.41719 2.01731 5.62797 1.00 0.00 0 O +ATOM 27 H REX 1 9.36905 2.19380 5.39265 1.00 0.00 0 H +ATOM 28 H REX 1 1.7409010.0279613.76343 1.00 0.00 0 H +ATOM 29 O REX 1 1.6686410.8718014.31579 1.00 0.00 0 O +ATOM 30 H REX 1 1.2716710.63186 0.81033 1.00 0.00 0 H +ATOM 31 H REX 1 5.1647313.77242 9.92069 1.00 0.00 0 H +ATOM 32 O REX 1 4.3601313.4909310.41874 1.00 0.00 0 O +ATOM 33 H REX 1 4.6816012.7880411.04842 1.00 0.00 0 H +ATOM 34 H REX 1 6.5373611.6084512.46428 1.00 0.00 0 H +ATOM 35 O REX 1 5.5538711.4859812.25238 1.00 0.00 0 O +ATOM 36 H REX 1 5.1574711.0433513.06629 1.00 0.00 0 H +ATOM 37 H REX 1 8.14741 2.8679111.05447 1.00 0.00 0 H +ATOM 38 O REX 1 8.16028 2.7804012.09376 1.00 0.00 0 O +ATOM 39 H REX 1 8.83238 2.0720412.33207 1.00 0.00 0 H +ATOM 40 H REX 1 9.1324313.2840811.90437 1.00 0.00 0 H +ATOM 41 O REX 1 9.1749914.1534411.40697 1.00 0.00 0 O +ATOM 42 H REX 1 8.4794314.0844210.69137 1.00 0.00 0 H +ATOM 43 H REX 1 0.23824 9.02352 5.11355 1.00 0.00 0 H +ATOM 44 O REX 1 0.51369 9.32541 6.06124 1.00 0.00 0 O +ATOM 45 H REX 1 0.8409410.30394 5.97479 1.00 0.00 0 H +ATOM 46 H REX 1 0.09101 3.1307113.57319 1.00 0.00 0 H +ATOM 47 O REX 1 13.56428 2.6938713.61661 1.00 0.00 0 O +ATOM 48 H REX 1 12.92379 3.4010614.06682 1.00 0.00 0 H +ATOM 49 H REX 1 9.6384111.82533 2.11177 1.00 0.00 0 H +ATOM 50 O REX 1 10.2678811.06697 2.42009 1.00 0.00 0 O +ATOM 51 H REX 1 10.6989310.66171 1.58403 1.00 0.00 0 H +ATOM 52 H REX 1 10.74626 7.4468611.50115 1.00 0.00 0 H +ATOM 53 O REX 1 9.79623 7.1864411.66065 1.00 0.00 0 O +ATOM 54 H REX 1 9.30045 7.5628710.88320 1.00 0.00 0 H +ATOM 55 H REX 1 13.01689 2.78112 7.45509 1.00 0.00 0 H +ATOM 56 O REX 1 12.28307 3.26915 7.98177 1.00 0.00 0 O +ATOM 57 H REX 1 11.56497 2.56216 8.18970 1.00 0.00 0 H +ATOM 58 H REX 1 12.66697 4.88417 7.29077 1.00 0.00 0 H +ATOM 59 O REX 1 13.21411 5.52272 6.73282 1.00 0.00 0 O +ATOM 60 H REX 1 14.14902 5.44787 7.04520 1.00 0.00 0 H +ATOM 61 H REX 1 11.38359 3.39062 4.48995 1.00 0.00 0 H +ATOM 62 O REX 1 11.34236 2.45884 4.79607 1.00 0.00 0 O +ATOM 63 H REX 1 12.05673 2.39111 5.47306 1.00 0.00 0 H +ATOM 64 H REX 1 6.85249 0.56423 9.32327 1.00 0.00 0 H +ATOM 65 O REX 1 6.34917 1.38247 8.97670 1.00 0.00 0 O +ATOM 66 H REX 1 5.70280 1.71432 9.72323 1.00 0.00 0 H +ATOM 67 H REX 1 11.94067 7.6376910.15591 1.00 0.00 0 H +ATOM 68 O REX 1 11.51696 7.19535 9.32255 1.00 0.00 0 O +ATOM 69 H REX 1 11.77027 7.76911 8.52063 1.00 0.00 0 H +ATOM 70 H REX 1 12.24961 5.6139710.13643 1.00 0.00 0 H +ATOM 71 O REX 1 12.57578 4.6778710.34072 1.00 0.00 0 O +ATOM 72 H REX 1 12.27019 4.09070 9.57171 1.00 0.00 0 H +ATOM 73 H REX 1 8.6602110.7965313.31026 1.00 0.00 0 H +ATOM 74 O REX 1 8.4466511.7329513.07620 1.00 0.00 0 O +ATOM 75 H REX 1 8.5591812.2480113.92151 1.00 0.00 0 H +ATOM 76 H REX 1 13.81202 6.4224713.89470 1.00 0.00 0 H +ATOM 77 O REX 1 13.75234 6.3776412.88706 1.00 0.00 0 O +ATOM 78 H REX 1 0.20696 6.0096212.53920 1.00 0.00 0 H +ATOM 79 H REX 1 14.41565 1.91356 5.22336 1.00 0.00 0 H +ATOM 80 O REX 1 14.12787 1.99859 6.19450 1.00 0.00 0 O +ATOM 81 H REX 1 0.50741 1.75914 6.77205 1.00 0.00 0 H +ATOM 82 H REX 1 2.65222 7.58488 1.63764 1.00 0.00 0 H +ATOM 83 O REX 1 2.16243 7.05951 0.95996 1.00 0.00 0 O +ATOM 84 H REX 1 2.27479 7.53302 0.08402 1.00 0.00 0 H +ATOM 85 H REX 1 4.2255510.30181 1.00717 1.00 0.00 0 H +ATOM 86 O REX 1 4.63173 9.84242 0.20578 1.00 0.00 0 O +ATOM 87 H REX 1 5.09583 8.98645 0.55128 1.00 0.00 0 H +ATOM 88 H REX 1 8.06792 5.31674 2.33112 1.00 0.00 0 H +ATOM 89 O REX 1 7.67942 4.81987 3.14372 1.00 0.00 0 O +ATOM 90 H REX 1 6.88313 4.30135 2.78128 1.00 0.00 0 H +ATOM 91 H REX 1 4.76362 6.5518010.61359 1.00 0.00 0 H +ATOM 92 O REX 1 4.26951 7.3509711.05470 1.00 0.00 0 O +ATOM 93 H REX 1 4.80754 8.1998310.81557 1.00 0.00 0 H +ATOM 94 H REX 1 9.09728 5.2535914.38060 1.00 0.00 0 H +ATOM 95 O REX 1 8.77589 5.81488 0.74034 1.00 0.00 0 O +ATOM 96 H REX 1 9.58872 6.29919 1.09909 1.00 0.00 0 H +ATOM 97 H REX 1 12.6284012.11080 7.36656 1.00 0.00 0 H +ATOM 98 O REX 1 12.1739711.84284 6.46343 1.00 0.00 0 O +ATOM 99 H REX 1 12.6832212.33234 5.72117 1.00 0.00 0 H +ATOM 100 H REX 1 0.1973811.57590 2.47466 1.00 0.00 0 H +ATOM 101 O REX 1 0.8813710.81831 2.52408 1.00 0.00 0 O +ATOM 102 H REX 1 0.4062610.00473 2.92615 1.00 0.00 0 H +ATOM 103 H REX 1 13.40477 2.0791711.85112 1.00 0.00 0 H +ATOM 104 O REX 1 13.55904 1.9606410.85681 1.00 0.00 0 O +ATOM 105 H REX 1 13.14848 2.7609310.41951 1.00 0.00 0 H +ATOM 106 H REX 1 8.27115 8.65789 9.07103 1.00 0.00 0 H +ATOM 107 O REX 1 8.31413 9.27161 9.89500 1.00 0.00 0 O +ATOM 108 H REX 1 8.7481410.13297 9.59304 1.00 0.00 0 H +ATOM 109 H REX 1 9.85409 5.5227212.16165 1.00 0.00 0 H +ATOM 110 O REX 1 9.85917 4.6941312.75730 1.00 0.00 0 O +ATOM 111 H REX 1 9.08190 4.0656412.45541 1.00 0.00 0 H +ATOM 112 H REX 1 14.39397 0.55202 0.82526 1.00 0.00 0 H +ATOM 113 O REX 1 0.91952 0.43505 1.14447 1.00 0.00 0 O +ATOM 114 H REX 1 1.52392 0.87187 0.45884 1.00 0.00 0 H +ATOM 115 H REX 1 2.0563212.60340 5.79305 1.00 0.00 0 H +ATOM 116 O REX 1 1.4175311.95049 5.40231 1.00 0.00 0 O +ATOM 117 H REX 1 0.5867312.46645 5.14123 1.00 0.00 0 H +ATOM 118 H REX 1 12.1483513.3425213.62805 1.00 0.00 0 H +ATOM 119 O REX 1 12.2890812.5284413.06205 1.00 0.00 0 O +ATOM 120 H REX 1 13.3003612.5370112.78694 1.00 0.00 0 H +ATOM 121 H REX 1 0.81366 9.32043 8.01780 1.00 0.00 0 H +ATOM 122 O REX 1 1.13979 9.71399 8.88977 1.00 0.00 0 O +ATOM 123 H REX 1 2.18904 9.72618 8.84144 1.00 0.00 0 H +ATOM 124 H REX 1 1.81360 1.40383 8.92085 1.00 0.00 0 H +ATOM 125 O REX 1 1.94895 1.58486 7.94172 1.00 0.00 0 O +ATOM 126 H REX 1 2.56857 0.85742 7.59855 1.00 0.00 0 H +ATOM 127 H REX 1 0.7691712.4537911.57984 1.00 0.00 0 H +ATOM 128 O REX 1 0.4922412.7079012.54216 1.00 0.00 0 O +ATOM 129 H REX 1 0.8961012.0067213.17809 1.00 0.00 0 H +ATOM 130 H REX 1 5.2315813.39868 0.95434 1.00 0.00 0 H +ATOM 131 O REX 1 6.1519613.82988 1.02055 1.00 0.00 0 O +ATOM 132 H REX 1 6.16237 0.02548 1.85055 1.00 0.00 0 H +ATOM 133 H REX 1 9.91205 2.09353 1.97805 1.00 0.00 0 H +ATOM 134 O REX 1 9.14874 1.79349 1.43329 1.00 0.00 0 O +ATOM 135 H REX 1 9.50205 1.65131 0.48434 1.00 0.00 0 H +ATOM 136 H REX 1 3.27030 8.0786812.33666 1.00 0.00 0 H +ATOM 137 O REX 1 2.73916 8.6634812.99656 1.00 0.00 0 O +ATOM 138 H REX 1 3.43555 9.2102813.55851 1.00 0.00 0 H +ATOM 139 H REX 1 4.24205 3.90024 6.47552 1.00 0.00 0 H +ATOM 140 O REX 1 3.25526 4.03544 6.25931 1.00 0.00 0 O +ATOM 141 H REX 1 2.76772 3.31085 6.75414 1.00 0.00 0 H +ATOM 142 H REX 1 3.43196 5.86576 3.55292 1.00 0.00 0 H +ATOM 143 O REX 1 3.36741 4.81754 3.58883 1.00 0.00 0 O +ATOM 144 H REX 1 3.25822 4.54718 4.56837 1.00 0.00 0 H +ATOM 145 H REX 1 12.4716911.81170 1.67083 1.00 0.00 0 H +ATOM 146 O REX 1 13.1472612.47789 1.95018 1.00 0.00 0 O +ATOM 147 H REX 1 12.8678713.33368 1.52019 1.00 0.00 0 H +ATOM 148 H REX 1 5.6028910.3316511.00952 1.00 0.00 0 H +ATOM 149 O REX 1 5.66604 9.6267610.24192 1.00 0.00 0 O +ATOM 150 H REX 1 6.68344 9.52392 9.99908 1.00 0.00 0 H +ATOM 151 H REX 1 1.07569 3.50115 9.04134 1.00 0.00 0 H +ATOM 152 O REX 1 1.00933 4.39227 9.47022 1.00 0.00 0 O +ATOM 153 H REX 1 0.06626 4.45870 9.82333 1.00 0.00 0 H +ATOM 154 H REX 1 9.17464 4.50946 8.06792 1.00 0.00 0 H +ATOM 155 O REX 1 9.63665 5.18629 7.50549 1.00 0.00 0 O +ATOM 156 H REX 1 10.53807 5.25505 7.88760 1.00 0.00 0 H +ATOM 157 H REX 1 2.42390 1.1368612.49844 1.00 0.00 0 H +ATOM 158 O REX 1 2.62728 1.3507113.49995 1.00 0.00 0 O +ATOM 159 H REX 1 3.65727 1.3949713.62891 1.00 0.00 0 H +ATOM 160 H REX 1 5.5854311.06656 3.37438 1.00 0.00 0 H +ATOM 161 O REX 1 6.5278611.07601 3.74582 1.00 0.00 0 O +ATOM 162 H REX 1 6.9607210.16387 3.52888 1.00 0.00 0 H +ATOM 163 H REX 1 5.75892 0.92744 0.02950 1.00 0.00 0 H +ATOM 164 O REX 1 5.41032 1.7497013.97681 1.00 0.00 0 O +ATOM 165 H REX 1 5.57938 2.53643 0.15187 1.00 0.00 0 H +ATOM 166 H REX 1 0.83973 1.2433410.94338 1.00 0.00 0 H +ATOM 167 O REX 1 1.81422 0.9486410.86160 1.00 0.00 0 O +ATOM 168 H REX 1 1.7963114.3891010.69378 1.00 0.00 0 H +ATOM 169 H REX 1 4.0375610.28085 7.65991 1.00 0.00 0 H +ATOM 170 O REX 1 3.6119310.48950 8.55659 1.00 0.00 0 O +ATOM 171 H REX 1 4.2928110.21883 9.27183 1.00 0.00 0 H +ATOM 172 H REX 1 3.43672 7.87126 4.59465 1.00 0.00 0 H +ATOM 173 O REX 1 3.80096 7.50021 3.69692 1.00 0.00 0 O +ATOM 174 H REX 1 4.80483 7.33897 3.82232 1.00 0.00 0 H +ATOM 175 H REX 1 12.02930 0.72051 1.33337 1.00 0.00 0 H +ATOM 176 O REX 1 12.60821 0.55206 0.48954 1.00 0.00 0 O +ATOM 177 H REX 1 12.86509 1.46628 0.06692 1.00 0.00 0 H +ATOM 178 H REX 1 1.34769 9.1681111.91401 1.00 0.00 0 H +ATOM 179 O REX 1 0.56747 9.6575811.47911 1.00 0.00 0 O +ATOM 180 H REX 1 0.81936 9.8775410.50416 1.00 0.00 0 H +ATOM 181 H REX 1 6.03239 4.82296 6.91503 1.00 0.00 0 H +ATOM 182 O REX 1 5.74143 5.72775 7.29721 1.00 0.00 0 O +ATOM 183 H REX 1 6.56677 6.32681 7.38693 1.00 0.00 0 H +ATOM 184 H REX 1 4.73160 4.15122 2.36384 1.00 0.00 0 H +ATOM 185 O REX 1 5.36549 3.82499 1.64463 1.00 0.00 0 O +ATOM 186 H REX 1 5.17861 4.39064 0.82089 1.00 0.00 0 H +ATOM 187 H REX 1 3.05821 7.48069 6.77948 1.00 0.00 0 H +ATOM 188 O REX 1 3.03363 8.33728 6.21851 1.00 0.00 0 O +ATOM 189 H REX 1 2.03858 8.65233 6.21954 1.00 0.00 0 H +ATOM 190 H REX 1 7.24232 4.17528 9.74710 1.00 0.00 0 H +ATOM 191 O REX 1 7.93383 3.48013 9.47235 1.00 0.00 0 O +ATOM 192 H REX 1 7.41742 2.68958 9.03311 1.00 0.00 0 H +ATOM 193 H REX 1 7.4896312.63741 4.25126 1.00 0.00 0 H +ATOM 194 O REX 1 7.9738613.46400 4.60074 1.00 0.00 0 O +ATOM 195 H REX 1 7.7803614.20300 3.94151 1.00 0.00 0 H +ATOM 196 H REX 1 10.09388 5.39527 5.47866 1.00 0.00 0 H +ATOM 197 O REX 1 10.23218 5.48150 4.48622 1.00 0.00 0 O +ATOM 198 H REX 1 9.40927 5.09201 4.05966 1.00 0.00 0 H +ATOM 199 H REX 1 11.52459 0.29082 8.85727 1.00 0.00 0 H +ATOM 200 O REX 1 10.79256 0.93792 8.69578 1.00 0.00 0 O +ATOM 201 H REX 1 10.21192 0.52052 7.98526 1.00 0.00 0 H +ATOM 202 H REX 1 5.02736 6.1998314.25401 1.00 0.00 0 H +ATOM 203 O REX 1 4.61928 5.3955913.82455 1.00 0.00 0 O +ATOM 204 H REX 1 3.92541 5.7391613.21647 1.00 0.00 0 H +ATOM 205 H REX 1 0.66905 2.37969 3.19318 1.00 0.00 0 H +ATOM 206 O REX 1 0.68130 1.44315 3.64583 1.00 0.00 0 O +ATOM 207 H REX 1 0.85761 0.77186 2.87502 1.00 0.00 0 H +ATOM 208 H REX 1 2.14331 2.8815513.71270 1.00 0.00 0 H +ATOM 209 O REX 1 1.55668 3.7485713.81249 1.00 0.00 0 O +ATOM 210 H REX 1 1.80389 4.3944713.05488 1.00 0.00 0 H +ATOM 211 H REX 1 3.8094711.86524 2.35434 1.00 0.00 0 H +ATOM 212 O REX 1 3.7288111.02019 2.89805 1.00 0.00 0 O +ATOM 213 H REX 1 2.7346310.85134 2.98810 1.00 0.00 0 H +ATOM 214 H REX 1 6.72425 7.74089 0.38322 1.00 0.00 0 H +ATOM 215 O REX 1 5.91930 7.54689 0.93249 1.00 0.00 0 O +ATOM 216 H REX 1 6.23405 7.66104 1.87266 1.00 0.00 0 H +ATOM 217 H REX 1 4.67747 9.17283 6.19407 1.00 0.00 0 H +ATOM 218 O REX 1 5.39248 9.86086 6.38993 1.00 0.00 0 O +ATOM 219 H REX 1 5.8111510.10066 5.51420 1.00 0.00 0 H +ATOM 220 H REX 1 3.58159 0.18094 5.79959 1.00 0.00 0 H +ATOM 221 O REX 1 3.6358714.06250 6.66500 1.00 0.00 0 O +ATOM 222 H REX 1 4.5567913.64021 6.70135 1.00 0.00 0 H +ATOM 223 H REX 1 11.7357710.3687610.56570 1.00 0.00 0 H +ATOM 224 O REX 1 11.3960511.3028210.54358 1.00 0.00 0 O +ATOM 225 H REX 1 11.5497511.6678511.47432 1.00 0.00 0 H +ATOM 226 H REX 1 13.72841 7.83234 3.16944 1.00 0.00 0 H +ATOM 227 O REX 1 13.82911 8.72514 3.61566 1.00 0.00 0 O +ATOM 228 H REX 1 12.88214 9.04934 3.87110 1.00 0.00 0 H +ATOM 229 H REX 1 8.46345 8.53548 3.75163 1.00 0.00 0 H +ATOM 230 O REX 1 7.57755 8.54833 3.23416 1.00 0.00 0 O +ATOM 231 H REX 1 6.96474 7.89503 3.71654 1.00 0.00 0 H +ATOM 232 H REX 1 6.9092812.84404 5.99623 1.00 0.00 0 H +ATOM 233 O REX 1 6.2480112.67890 6.73644 1.00 0.00 0 O +ATOM 234 H REX 1 6.0243711.69712 6.72862 1.00 0.00 0 H +ATOM 235 H REX 1 11.98796 5.61338 3.80579 1.00 0.00 0 H +ATOM 236 O REX 1 12.99256 5.54308 3.90996 1.00 0.00 0 O +ATOM 237 H REX 1 13.17263 5.47439 4.91630 1.00 0.00 0 H +ATOM 238 H REX 1 13.03193 9.09182 6.74126 1.00 0.00 0 H +ATOM 239 O REX 1 12.26053 9.14095 7.37437 1.00 0.00 0 O +ATOM 240 H REX 1 11.9572310.09113 7.35317 1.00 0.00 0 H +ATOM 241 H REX 1 13.9016314.35090 4.53187 1.00 0.00 0 H +ATOM 242 O REX 1 13.5573813.41348 4.64314 1.00 0.00 0 O +ATOM 243 H REX 1 13.4469713.03567 3.70528 1.00 0.00 0 H +ATOM 244 H REX 1 3.50501 2.25792 5.04576 1.00 0.00 0 H +ATOM 245 O REX 1 3.39440 1.42921 4.50681 1.00 0.00 0 O +ATOM 246 H REX 1 2.46668 1.46934 4.10714 1.00 0.00 0 H +ATOM 247 H REX 1 8.1851412.66063 9.29387 1.00 0.00 0 H +ATOM 248 O REX 1 7.3320113.25093 9.36894 1.00 0.00 0 O +ATOM 249 H REX 1 6.8558113.16395 8.46402 1.00 0.00 0 H +ATOM 250 H REX 1 5.10608 4.3813510.25702 1.00 0.00 0 H +ATOM 251 O REX 1 5.64376 5.19259 9.97293 1.00 0.00 0 O +ATOM 252 H REX 1 5.53995 5.29785 8.94546 1.00 0.00 0 H +ATOM 253 H REX 1 6.73954 2.71646 6.09963 1.00 0.00 0 H +ATOM 254 O REX 1 5.87849 2.98427 6.57622 1.00 0.00 0 O +ATOM 255 H REX 1 5.86319 2.44790 7.43512 1.00 0.00 0 H +ATOM 256 H REX 1 11.7388410.41650 5.32398 1.00 0.00 0 H +ATOM 257 O REX 1 11.48991 9.82602 4.52549 1.00 0.00 0 O +ATOM 258 H REX 1 11.0190610.42292 3.80910 1.00 0.00 0 H +ATOM 259 H REX 1 9.98869 0.7482812.70919 1.00 0.00 0 H +ATOM 260 O REX 1 10.45096 1.3219013.41525 1.00 0.00 0 O +ATOM 261 H REX 1 11.23829 0.7957313.76925 1.00 0.00 0 H +ATOM 262 H REX 1 12.57274 5.12722 0.73865 1.00 0.00 0 H +ATOM 263 O REX 1 11.97733 4.34276 0.52257 1.00 0.00 0 O +ATOM 264 H REX 1 11.30969 4.6531714.26280 1.00 0.00 0 H +ATOM 265 H REX 1 7.9164513.32420 1.41435 1.00 0.00 0 H +ATOM 266 O REX 1 8.8975613.11488 1.27891 1.00 0.00 0 O +ATOM 267 H REX 1 9.4001213.90279 1.63934 1.00 0.00 0 H +ATOM 268 H REX 1 8.22909 7.97370 6.78129 1.00 0.00 0 H +ATOM 269 O REX 1 8.03768 7.50121 7.65443 1.00 0.00 0 O +ATOM 270 H REX 1 8.69777 6.71196 7.68665 1.00 0.00 0 H +ATOM 271 H REX 1 9.83539 7.18529 4.88263 1.00 0.00 0 H +ATOM 272 O REX 1 9.52308 8.09659 5.21710 1.00 0.00 0 O +ATOM 273 H REX 1 10.30574 8.75913 5.08506 1.00 0.00 0 H +ATOM 274 H REX 1 13.49921 8.9620311.34116 1.00 0.00 0 H +ATOM 275 O REX 1 12.63568 8.4051311.53312 1.00 0.00 0 O +ATOM 276 H REX 1 12.92814 7.6263912.15442 1.00 0.00 0 H +ATOM 277 H REX 1 3.82276 1.9852710.69374 1.00 0.00 0 H +ATOM 278 O REX 1 4.62133 2.5741210.64115 1.00 0.00 0 O +ATOM 279 H REX 1 5.00790 2.5287811.54974 1.00 0.00 0 H +ATOM 280 H REX 1 8.24503 7.7319114.26742 1.00 0.00 0 H +ATOM 281 O REX 1 8.48165 8.5371813.73491 1.00 0.00 0 O +ATOM 282 H REX 1 9.09857 8.2094813.00581 1.00 0.00 0 H +ATOM 283 H REX 1 6.22243 1.92792 3.01889 1.00 0.00 0 H +ATOM 284 O REX 1 6.85380 1.17056 2.90634 1.00 0.00 0 O +ATOM 285 H REX 1 7.64778 1.53548 2.36934 1.00 0.00 0 H +ATOM 286 H REX 1 11.03544 1.05483 3.44376 1.00 0.00 0 H +ATOM 287 O REX 1 11.19683 0.23796 2.88529 1.00 0.00 0 O +ATOM 288 H REX 1 11.8780714.14934 3.38075 1.00 0.00 0 H +ATOM 289 H REX 1 12.4102212.31821 9.55828 1.00 0.00 0 H +ATOM 290 O REX 1 13.0368912.77834 8.89232 1.00 0.00 0 O +ATOM 291 H REX 1 13.9683212.65154 9.23065 1.00 0.00 0 H +ATOM 292 H REX 1 2.58384 6.4311211.64218 1.00 0.00 0 H +ATOM 293 O REX 1 1.86887 5.7555711.87050 1.00 0.00 0 O +ATOM 294 H REX 1 1.67388 5.2520811.01503 1.00 0.00 0 H +ATOM 295 H REX 1 9.6559412.26476 7.83473 1.00 0.00 0 H +ATOM 296 O REX 1 9.3576611.64534 8.59312 1.00 0.00 0 O +ATOM 297 H REX 1 10.1372711.56682 9.24787 1.00 0.00 0 H +ATOM 298 H REX 1 6.84946 5.86221 4.23984 1.00 0.00 0 H +ATOM 299 O REX 1 6.18241 6.56040 4.62743 1.00 0.00 0 O +ATOM 300 H REX 1 5.83272 6.21373 5.51267 1.00 0.00 0 H +CONECT 1 2 +CONECT 2 1 3 +CONECT 3 2 +CONECT 4 5 143 +CONECT 5 4 6 +CONECT 6 5 +CONECT 7 8 +CONECT 8 7 9 +CONECT 9 8 +CONECT 10 11 +CONECT 11 10 12 +CONECT 12 11 +CONECT 13 14 +CONECT 14 13 15 +CONECT 15 14 +CONECT 16 17 +CONECT 17 16 18 +CONECT 18 17 +CONECT 19 20 +CONECT 20 19 21 +CONECT 21 20 +CONECT 22 23 +CONECT 23 22 24 +CONECT 24 23 +CONECT 25 26 +CONECT 26 25 27 +CONECT 27 26 +CONECT 28 29 +CONECT 29 28 30 +CONECT 30 29 +CONECT 31 32 +CONECT 32 31 33 +CONECT 33 32 +CONECT 34 35 +CONECT 35 34 36 148 +CONECT 36 35 +CONECT 37 38 191 +CONECT 38 37 39 111 +CONECT 39 38 +CONECT 40 41 +CONECT 41 40 42 +CONECT 42 41 +CONECT 43 44 +CONECT 44 43 45 189 +CONECT 45 44 +CONECT 46 47 209 +CONECT 47 46 48 177 +CONECT 48 47 263 +CONECT 49 50 266 +CONECT 50 49 51 258 +CONECT 51 50 +CONECT 52 53 +CONECT 53 52 54 +CONECT 54 53 +CONECT 55 56 +CONECT 56 55 57 +CONECT 57 56 +CONECT 58 59 +CONECT 59 58 60 +CONECT 60 59 +CONECT 61 62 +CONECT 62 61 63 +CONECT 63 62 +CONECT 64 65 +CONECT 65 64 66 192 +CONECT 66 65 278 +CONECT 67 68 +CONECT 68 67 69 +CONECT 69 68 +CONECT 70 71 +CONECT 71 70 72 +CONECT 72 71 +CONECT 73 74 +CONECT 74 73 75 +CONECT 75 74 +CONECT 76 77 +CONECT 77 76 78 276 +CONECT 78 77 +CONECT 79 80 +CONECT 80 79 81 +CONECT 81 80 +CONECT 82 83 +CONECT 83 82 84 +CONECT 84 83 +CONECT 85 86 +CONECT 86 85 87 +CONECT 87 86 215 +CONECT 88 89 +CONECT 89 88 90 +CONECT 90 89 +CONECT 91 92 +CONECT 92 91 93 +CONECT 93 92 +CONECT 94 95 +CONECT 95 94 96 +CONECT 96 95 +CONECT 97 98 290 +CONECT 98 97 99 +CONECT 99 98 +CONECT 100 101 +CONECT 101 100 102 +CONECT 102 101 +CONECT 103 104 +CONECT 104 103 105 +CONECT 105 104 +CONECT 106 107 +CONECT 107 106 108 150 +CONECT 108 107 +CONECT 109 110 +CONECT 110 109 111 +CONECT 111 38 110 +CONECT 112 113 +CONECT 113 112 114 +CONECT 114 113 +CONECT 115 116 +CONECT 116 115 117 +CONECT 117 116 +CONECT 118 119 +CONECT 119 118 120 +CONECT 120 119 128 +CONECT 121 122 +CONECT 122 121 123 180 +CONECT 123 122 170 +CONECT 124 125 +CONECT 125 124 126 +CONECT 126 125 +CONECT 127 128 +CONECT 128 120 127 129 +CONECT 129 128 +CONECT 130 131 +CONECT 131 130 132 +CONECT 132 131 284 +CONECT 133 134 +CONECT 134 133 135 +CONECT 135 134 +CONECT 136 137 +CONECT 137 136 138 +CONECT 138 137 +CONECT 139 140 +CONECT 140 139 141 +CONECT 141 140 +CONECT 142 143 173 +CONECT 143 4 142 144 +CONECT 144 143 +CONECT 145 146 +CONECT 146 145 147 +CONECT 147 146 +CONECT 148 35 149 +CONECT 149 148 150 +CONECT 150 107 149 +CONECT 151 152 +CONECT 152 151 153 +CONECT 153 152 +CONECT 154 155 +CONECT 155 154 156 +CONECT 156 155 +CONECT 157 158 +CONECT 158 157 159 208 +CONECT 159 158 +CONECT 160 161 +CONECT 161 160 162 +CONECT 162 161 +CONECT 163 164 +CONECT 164 163 165 +CONECT 165 164 +CONECT 166 167 +CONECT 167 166 168 +CONECT 168 167 +CONECT 169 170 +CONECT 170 123 169 171 +CONECT 171 170 +CONECT 172 173 +CONECT 173 142 172 174 +CONECT 174 173 +CONECT 175 176 +CONECT 176 175 177 +CONECT 177 47 176 +CONECT 178 179 +CONECT 179 178 180 274 +CONECT 180 122 179 +CONECT 181 182 +CONECT 182 181 183 252 +CONECT 183 182 +CONECT 184 185 +CONECT 185 184 186 +CONECT 186 185 +CONECT 187 188 +CONECT 188 187 189 +CONECT 189 44 188 +CONECT 190 191 +CONECT 191 37 190 192 +CONECT 192 65 191 +CONECT 193 194 +CONECT 194 193 195 +CONECT 195 194 +CONECT 196 197 +CONECT 197 196 198 +CONECT 198 197 +CONECT 199 200 +CONECT 200 199 201 +CONECT 201 200 +CONECT 202 203 +CONECT 203 202 204 +CONECT 204 203 +CONECT 205 206 +CONECT 206 205 207 +CONECT 207 206 +CONECT 208 158 209 +CONECT 209 46 208 210 +CONECT 210 209 +CONECT 211 212 +CONECT 212 211 213 +CONECT 213 212 +CONECT 214 215 +CONECT 215 87 214 216 +CONECT 216 215 +CONECT 217 218 +CONECT 218 217 219 +CONECT 219 218 +CONECT 220 221 +CONECT 221 220 222 +CONECT 222 221 +CONECT 223 224 +CONECT 224 223 225 +CONECT 225 224 +CONECT 226 227 +CONECT 227 226 228 +CONECT 228 227 +CONECT 229 230 +CONECT 230 229 231 +CONECT 231 230 +CONECT 232 233 +CONECT 233 232 234 +CONECT 234 233 +CONECT 235 236 +CONECT 236 235 237 +CONECT 237 236 +CONECT 238 239 +CONECT 239 238 240 +CONECT 240 239 +CONECT 241 242 +CONECT 242 241 243 +CONECT 243 242 +CONECT 244 245 +CONECT 245 244 246 +CONECT 246 245 +CONECT 247 248 296 +CONECT 248 247 249 +CONECT 249 248 +CONECT 250 251 +CONECT 251 250 252 +CONECT 252 182 251 +CONECT 253 254 +CONECT 254 253 255 +CONECT 255 254 +CONECT 256 257 +CONECT 257 256 258 273 +CONECT 258 50 257 +CONECT 259 260 +CONECT 260 259 261 +CONECT 261 260 +CONECT 262 263 +CONECT 263 48 262 264 +CONECT 264 263 +CONECT 265 266 +CONECT 266 49 265 267 +CONECT 267 266 +CONECT 268 269 +CONECT 269 268 270 +CONECT 270 269 +CONECT 271 272 +CONECT 272 271 273 +CONECT 273 257 272 +CONECT 274 179 275 +CONECT 275 274 276 +CONECT 276 77 275 +CONECT 277 278 +CONECT 278 66 277 279 +CONECT 279 278 +CONECT 280 281 +CONECT 281 280 282 +CONECT 282 281 +CONECT 283 284 +CONECT 284 132 283 285 +CONECT 285 284 +CONECT 286 287 +CONECT 287 286 288 +CONECT 288 287 +CONECT 289 290 +CONECT 290 97 289 291 +CONECT 291 290 +CONECT 292 293 +CONECT 293 292 294 +CONECT 294 293 +CONECT 295 296 +CONECT 296 247 295 297 +CONECT 297 296 +CONECT 298 299 +CONECT 299 298 300 +CONECT 300 299 -- GitLab