0 mol 7 unq 0 iso 0 dist 5.77374 9.8603 5.70161 9.33944 8.0166 6.22805 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 8.57437 9.8603 4.57188 10.0257 9.67498 13.9815 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 8.57437 9.8603 4.57188 9.33944 9.32945 6.22805 numMergedOcc 0
3 mol 10 unq 0 iso 0 dist 9.96463 9.07663 13.8267 15.2778 9.99109 19.9673 numMergedOcc 0
4 mol 14 unq 0 iso 0 dist 9.42142 8.13983 7.00835 5.06934 7.66311 8.91266 numMergedOcc 0
5 mol 16 unq 0 iso 0 dist 9.56648 6.36377 5.35079 10.143 7.88676 10.8592 numMergedOcc 0
6 mol 44 unq 0 iso 0 dist 7.85573 7.78905 6.07691 11.0282 8.23606 13.8654 numMergedOcc 0
7 mol 44 unq 1 iso 0 dist 6.21423 9.44909 6.07691 6.5318 8.23606 13.8654 numMergedOcc 0
8 mol 51 unq 0 iso 0 dist 6.50216 7.12423 5.27155 10.8401 7.95419 9.06397 numMergedOcc 0
9 mol 61 unq 0 iso 0 dist 9.67403 8.46556 11.5608 8.24748 8.30431 12.3891 numMergedOcc 0
10 mol 73 unq 0 iso 0 dist 5.58346 6.18305 5.2774 7.53682 5.39171 6.30194 numMergedOcc 0
11 mol 73 unq 1 iso 0 dist 9.10386 6.18305 5.44275 7.53682 9.27355 6.30194 numMergedOcc 0
12 mol 76 unq 0 iso 0 dist 9.06225 7.47794 5.31439 8.04327 7.02854 10.3438 numMergedOcc 0
13 mol 103 unq 0 iso 0 dist 6.67575 4.99966 6.35372 4.36597 7.57822 7.55805 numMergedOcc 0
14 mol 109 unq 0 iso 0 dist 7.66832 8.73648 5.5332 9.79203 8.59182 13.6568 numMergedOcc 0
15 mol 133 unq 0 iso 0 dist 6.85651 9.3894 8.00493 8.75242 9.07294 15.4604 numMergedOcc 0
16 mol 133 unq 1 iso 0 dist 6.85651 9.3894 8.00493 14.0828 7.50126 12.9713 numMergedOcc 0
17 mol 139 unq 0 iso 0 dist 8.27507 6.34417 10.3273 10.8123 9.75151 16.5585 numMergedOcc 0
18 mol 162 unq 0 iso 0 dist 8.77869 8.25167 6.71523 15.3374 8.954 15.2202 numMergedOcc 0
19 mol 197 unq 0 iso 0 dist 5.79753 8.3337 8.69245 12.1167 8.51118 16.0074 numMergedOcc 0
20 mol 197 unq 1 iso 0 dist 5.79753 5.41292 4.6678 12.1167 8.51118 13.1397 numMergedOcc 0
21 mol 212 unq 0 iso 0 dist 7.73701 8.062 9.7586 7.5418 9.26387 7.87125 numMergedOcc 0
22 mol 218 unq 0 iso 0 dist 6.2441 7.0843 9.92743 7.15853 4.61671 13.1458 numMergedOcc 0
23 mol 218 unq 1 iso 0 dist 6.2441 7.0843 9.92743 5.7173 8.44004 12.1227 numMergedOcc 0
24 mol 218 unq 2 iso 0 dist 6.2441 7.73315 12.0573 7.15853 4.61671 14.0877 numMergedOcc 0
25 mol 218 unq 3 iso 0 dist 6.2441 7.73315 12.0573 5.7173 8.44004 13.0264 numMergedOcc 0
26 mol 218 unq 4 iso 0 dist 6.2441 6.9398 8.31343 7.15853 4.61671 10.6908 numMergedOcc 0
27 mol 218 unq 5 iso 0 dist 6.2441 6.9398 8.31343 5.7173 8.44004 12.5172 numMergedOcc 0
28 mol 219 unq 0 iso 0 dist 9.52151 4.87446 10.9246 7.00921 4.67452 10.3945 numMergedOcc 0
29 mol 219 unq 1 iso 0 dist 9.52151 4.87446 10.9246 10.3376 9.86916 12.2725 numMergedOcc 0
30 mol 219 unq 2 iso 0 dist 9.52151 7.49235 13.5876 7.00921 4.67452 12.328 numMergedOcc 0
31 mol 219 unq 3 iso 0 dist 9.52151 7.49235 13.5876 10.3376 9.86916 17.5208 numMergedOcc 0
32 mol 227 unq 0 iso 0 dist 6.14732 9.07872 13.552 7.27568 5.2851 12.5006 numMergedOcc 0
33 mol 238 unq 0 iso 0 dist 9.46728 8.59074 16.5687 4.13744 5.57184 11.7876 numMergedOcc 0
34 mol 238 unq 1 iso 0 dist 9.91921 6.2365 6.62361 6.12122 6.74214 7.98022 numMergedOcc 0
35 mol 238 unq 2 iso 0 dist 8.20243 6.2365 5.96552 6.12122 5.33462 7.98022 numMergedOcc 0
36 mol 241 unq 0 iso 0 dist 8.15897 9.18476 4.86437 6.70277 9.174 6.40592 numMergedOcc 0
37 mol 249 unq 0 iso 0 dist 7.279 6.37672 9.82483 5.4063 4.46389 10.516 numMergedOcc 0
38 mol 249 unq 1 iso 0 dist 8.43448 8.94023 9.82483 5.26413 4.46389 10.516 numMergedOcc 0
39 mol 257 unq 0 iso 0 dist 8.9297 9.83721 13.2456 4.65989 6.51449 12.12 numMergedOcc 0
40 mol 258 unq 0 iso 0 dist 9.4886 5.73834 8.31011 12.1075 8.57305 14.6694 numMergedOcc 0
41 mol 259 unq 0 iso 0 dist 5.98006 8.06771 5.71237 7.78289 8.73077 11.4871 numMergedOcc 0
42 mol 259 unq 1 iso 0 dist 5.98006 8.06771 5.71237 5.73217 6.76656 6.96379 numMergedOcc 0
43 mol 259 unq 2 iso 0 dist 7.97113 9.12507 13.3027 6.92619 8.91916 14.9752 numMergedOcc 0
44 mol 259 unq 3 iso 0 dist 5.22111 9.12507 12.3218 9.98638 9.45077 18.9727 numMergedOcc 0
45 mol 259 unq 4 iso 0 dist 5.22111 9.12507 12.3218 6.92619 4.55368 14.9752 numMergedOcc 0
46 mol 264 unq 0 iso 0 dist 9.8799 7.36905 13.9464 4.93509 7.61232 10.9135 numMergedOcc 0
47 mol 264 unq 1 iso 0 dist 9.8799 6.83408 5.11257 4.93509 7.61232 6.80096 numMergedOcc 0
48 mol 266 unq 0 iso 0 dist 3.90274 8.12852 5.73592 5.01049 5.28417 10.3469 numMergedOcc 0
49 mol 279 unq 0 iso 0 dist 9.71653 7.74162 6.03718 6.05412 8.57035 5.17586 numMergedOcc 0
