0 mol 9 unq 0 iso 0 dist 6.85412 9.78006 7.98363 5.60154 9.29529 8.04924 9.62394 4.45625 7.28672 9.57198 numMergedOcc 0
1 mol 9 unq 1 iso 0 dist 6.33889 9.78006 10.4204 5.60154 7.2199 8.04924 9.62394 6.0397 7.28672 9.57198 numMergedOcc 0
2 mol 26 unq 0 iso 0 dist 9.16962 5.69955 4.80984 9.87119 11.0822 7.61055 10.177 4.98603 5.30297 7.3022 numMergedOcc 0
3 mol 114 unq 0 iso 0 dist 8.71128 6.34525 14.3491 5.31367 11.976 8.06525 6.84011 9.23527 8.51024 8.809 numMergedOcc 0
4 mol 115 unq 0 iso 0 dist 8.66155 5.72642 5.87507 11.7126 9.9411 9.9928 12.13 6.20063 9.18958 5.60389 numMergedOcc 0
5 mol 156 unq 0 iso 0 dist 7.36119 7.73169 14.0853 5.07967 12.2304 7.04913 7.30357 11.9671 8.40261 7.30946 numMergedOcc 0
6 mol 181 unq 0 iso 0 dist 6.94688 6.51749 10.4684 10.0524 11.7007 9.52987 10.6908 8.15174 11.1881 6.32777 numMergedOcc 0
7 mol 181 unq 1 iso 0 dist 6.71012 6.51749 12.69 10.0524 12.8673 9.52987 10.6908 11.047 11.1881 6.32777 numMergedOcc 0
8 mol 189 unq 0 iso 0 dist 6.50241 8.56355 4.34089 10.3197 11.4926 9.6013 13.5398 10.4437 6.16643 9.33695 numMergedOcc 0
9 mol 189 unq 1 iso 0 dist 6.50241 8.56355 4.34089 11.3081 11.5705 8.32712 13.5398 10.4437 6.16643 6.31466 numMergedOcc 0
10 mol 194 unq 0 iso 0 dist 6.47873 6.26839 6.8278 15.9311 15.1721 9.77862 12.4952 8.87374 7.50057 9.3402 numMergedOcc 0
11 mol 194 unq 1 iso 0 dist 5.48258 8.83356 7.69247 5.38925 10.055 9.77862 6.72379 4.26755 7.50057 9.3402 numMergedOcc 0
12 mol 194 unq 2 iso 0 dist 6.15769 8.83356 13.9521 5.38925 10.8707 9.77862 6.72379 10.0315 7.50057 9.3402 numMergedOcc 0
13 mol 194 unq 3 iso 0 dist 8.38695 8.2654 6.8278 14.2415 15.1721 9.77862 13.2138 8.87374 7.50057 9.3402 numMergedOcc 0
14 mol 195 unq 0 iso 0 dist 8.36117 7.62942 9.08602 6.08211 14.218 9.79691 11.9628 17.2509 11.4252 9.82588 numMergedOcc 0
15 mol 195 unq 1 iso 0 dist 6.77578 7.62942 8.18628 6.08211 11.867 9.79691 11.9628 12.65 11.4252 9.82588 numMergedOcc 0
16 mol 238 unq 0 iso 0 dist 9.68513 6.4398 6.48619 15.3074 12.4232 9.42618 12.2731 10.5587 6.84212 8.81629 numMergedOcc 0
17 mol 238 unq 1 iso 0 dist 9.68513 6.4398 6.48619 15.3074 12.4232 9.42618 10.1217 10.3809 4.77308 6.87131 numMergedOcc 0
18 mol 238 unq 2 iso 0 dist 9.68513 6.4398 6.48619 15.3074 12.4232 9.42618 13.492 16.4621 10.2777 9.69818 numMergedOcc 0
19 mol 238 unq 3 iso 0 dist 9.29858 7.32982 6.48619 8.85181 12.4232 9.42618 12.6066 10.5587 6.84212 8.81629 numMergedOcc 0
20 mol 238 unq 4 iso 0 dist 9.29858 7.32982 6.48619 8.85181 12.4232 9.42618 9.24557 10.3809 4.77308 6.87131 numMergedOcc 0
21 mol 238 unq 5 iso 0 dist 9.29858 7.32982 6.48619 8.85181 12.4232 9.42618 12.9364 16.4621 10.2777 9.69818 numMergedOcc 0
22 mol 238 unq 6 iso 0 dist 9.90142 6.66971 5.8333 13.0842 14.6581 9.42618 10.784 10.7363 6.84212 8.81629 numMergedOcc 0
23 mol 238 unq 7 iso 0 dist 9.90142 6.66971 5.8333 13.0842 14.6581 9.42618 7.57812 10.3147 4.77308 6.87131 numMergedOcc 0
24 mol 238 unq 8 iso 0 dist 9.90142 6.66971 5.8333 13.0842 14.6581 9.42618 8.69104 15.6823 10.2777 9.69818 numMergedOcc 0
25 mol 238 unq 9 iso 0 dist 5.9216 6.4398 5.8333 15.3074 14.6581 9.42618 12.2731 10.7363 6.84212 8.81629 numMergedOcc 0
26 mol 238 unq 10 iso 0 dist 5.9216 6.4398 5.8333 15.3074 14.6581 9.42618 10.1217 10.3147 4.77308 6.87131 numMergedOcc 0
27 mol 238 unq 11 iso 0 dist 5.9216 6.4398 5.8333 15.3074 14.6581 9.42618 13.492 15.6823 10.2777 9.69818 numMergedOcc 0
28 mol 259 unq 0 iso 0 dist 6.77938 8.59697 12.1218 5.31048 11.4462 6.39918 10.4552 12.0428 6.31909 8.71497 numMergedOcc 0
29 mol 259 unq 1 iso 0 dist 7.76676 8.59697 9.22203 5.31048 9.64797 6.39918 10.4552 6.47089 6.31909 8.71497 numMergedOcc 0
