0 mol 1 unq 0 iso 0 dist 8.93702 11.8064 9.44115 7.48521 5.96833 5.21705 numMergedOcc 0
1 mol 1 unq 1 iso 0 dist 8.93702 4.61559 7.90928 7.48521 5.96833 5.06184 numMergedOcc 0
2 mol 26 unq 0 iso 0 dist 5.97065 7.54726 8.62693 4.18634 5.84066 5.23054 numMergedOcc 0
3 mol 62 unq 0 iso 0 dist 4.89196 8.33049 8.84323 7.751 9.1062 5.46563 numMergedOcc 0
4 mol 95 unq 0 iso 0 dist 9.40904 5.88138 6.64631 13.5243 9.51318 8.97717 numMergedOcc 0
5 mol 95 unq 1 iso 0 dist 9.40904 5.88138 6.64631 16.038 9.84457 10.5689 numMergedOcc 0
6 mol 95 unq 2 iso 0 dist 6.47401 5.73392 6.64631 13.573 9.51318 8.97717 numMergedOcc 0
7 mol 95 unq 3 iso 0 dist 6.47401 5.73392 6.64631 14.6933 9.84457 10.5689 numMergedOcc 0
8 mol 113 unq 0 iso 0 dist 8.94447 12.8097 5.44714 11.2557 5.29949 3.97791 numMergedOcc 0
9 mol 141 unq 0 iso 0 dist 9.55297 7.15424 7.74744 11.0797 7.54341 10.7383 numMergedOcc 0
10 mol 143 unq 0 iso 0 dist 7.13287 6.85248 9.43335 9.1255 7.05845 5.36037 numMergedOcc 0
11 mol 143 unq 1 iso 0 dist 7.13287 10.559 9.9492 9.1255 7.05845 15.3503 numMergedOcc 0
12 mol 148 unq 0 iso 0 dist 6.91289 11.075 8.07915 8.23396 8.42899 5.4632 numMergedOcc 0
13 mol 150 unq 0 iso 0 dist 6.895 10.4943 7.97801 7.40922 8.33721 5.36078 numMergedOcc 0
14 mol 155 unq 0 iso 0 dist 9.70106 6.30947 7.50392 4.33327 7.29911 5.68679 numMergedOcc 0
15 mol 197 unq 0 iso 0 dist 6.58245 11.5081 8.32685 9.66766 9.27218 15.7632 numMergedOcc 0
16 mol 197 unq 1 iso 0 dist 6.58245 11.8158 6.74777 9.66766 9.27218 15.6628 numMergedOcc 0
17 mol 197 unq 2 iso 0 dist 6.58245 14.0335 9.62514 9.66766 9.27218 18.7224 numMergedOcc 0
18 mol 214 unq 0 iso 0 dist 8.20906 4.77722 9.39099 5.055 9.58372 9.75492 numMergedOcc 0
19 mol 218 unq 0 iso 0 dist 5.66171 4.98567 7.90156 6.27279 8.61306 11.2254 numMergedOcc 0
20 mol 233 unq 0 iso 0 dist 5.34745 3.73772 7.83363 6.49444 8.24424 4.98419 numMergedOcc 0
21 mol 233 unq 1 iso 0 dist 5.34745 3.73772 7.83363 6.63339 7.0942 7.08719 numMergedOcc 0
22 mol 233 unq 2 iso 0 dist 5.34745 3.73772 7.83363 9.86764 6.01775 10.7478 numMergedOcc 0
23 mol 233 unq 3 iso 0 dist 7.99897 10.5268 7.83363 9.1334 8.24424 4.98419 numMergedOcc 0
24 mol 233 unq 4 iso 0 dist 7.99897 10.5268 7.83363 9.81222 7.0942 7.08719 numMergedOcc 0
25 mol 233 unq 5 iso 0 dist 7.99897 10.5268 7.83363 5.17683 6.01775 10.7478 numMergedOcc 0
26 mol 233 unq 6 iso 0 dist 8.98366 14.0794 7.83363 12.3327 8.24424 4.98419 numMergedOcc 0
27 mol 233 unq 7 iso 0 dist 8.98366 14.0794 7.83363 8.89879 7.0942 7.08719 numMergedOcc 0
28 mol 233 unq 8 iso 0 dist 8.98366 14.0794 7.83363 9.7363 6.01775 10.7478 numMergedOcc 0
29 mol 238 unq 0 iso 0 dist 9.07397 16.8 9.46582 13.4501 7.39547 5.17342 numMergedOcc 0
30 mol 238 unq 1 iso 0 dist 8.91763 4.74813 9.46582 8.28104 7.39547 5.17342 numMergedOcc 0
