0 mol 2 unq 0 iso 0 dist 9.74371 9.97525 6.35342 11.5183 6.3286 11.7849 numMergedOcc 0
1 mol 43 unq 0 iso 0 dist 8.25984 6.92677 9.81698 5.22412 6.95457 6.12084 numMergedOcc 0
2 mol 64 unq 0 iso 0 dist 7.8986 9.48441 6.6003 6.19262 8.80748 9.66437 numMergedOcc 0
3 mol 64 unq 1 iso 0 dist 7.8986 4.76091 6.44118 6.19262 8.80748 4.24542 numMergedOcc 0
4 mol 64 unq 2 iso 0 dist 7.24183 6.41829 6.6003 10.0177 8.80748 9.66437 numMergedOcc 0
5 mol 64 unq 3 iso 0 dist 7.24183 6.13923 6.44118 10.0177 8.80748 4.24542 numMergedOcc 0
6 mol 73 unq 0 iso 0 dist 5.92936 7.52996 9.28253 5.05394 5.52283 11.9262 numMergedOcc 0
7 mol 73 unq 1 iso 0 dist 8.4438 15.6609 9.28253 8.15716 5.52283 11.9262 numMergedOcc 0
8 mol 100 unq 0 iso 0 dist 5.61016 9.7552 7.88564 9.68539 8.66545 6.77491 numMergedOcc 0
9 mol 100 unq 1 iso 0 dist 7.11187 6.67262 6.78459 4.18245 6.03038 6.77491 numMergedOcc 0
10 mol 100 unq 2 iso 0 dist 7.11187 6.67262 6.78459 9.53861 9.21675 3.94305 numMergedOcc 0
11 mol 100 unq 3 iso 0 dist 6.60356 9.96864 6.78459 11.3097 6.03038 6.77491 numMergedOcc 0
12 mol 100 unq 4 iso 0 dist 6.60356 9.96864 6.78459 10.0584 9.21675 3.94305 numMergedOcc 0
13 mol 111 unq 0 iso 0 dist 8.83191 13.3198 8.42147 8.29372 7.22098 6.3561 numMergedOcc 0
14 mol 132 unq 0 iso 0 dist 8.15549 10.469 7.70349 4.6147 7.17412 7.79402 numMergedOcc 0
15 mol 132 unq 1 iso 0 dist 8.15549 10.469 7.70349 6.20797 5.69956 4.29956 numMergedOcc 0
16 mol 152 unq 0 iso 0 dist 6.4737 7.20811 9.74498 13.0157 9.61301 13.3193 numMergedOcc 0
17 mol 175 unq 0 iso 0 dist 6.21546 5.73338 8.69888 7.8384 8.9395 12.4148 numMergedOcc 0
18 mol 175 unq 1 iso 0 dist 6.03184 5.52686 9.57611 7.64428 9.25721 3.98983 numMergedOcc 0
19 mol 175 unq 2 iso 0 dist 6.03184 5.73338 5.08206 7.64428 9.25721 9.04495 numMergedOcc 0
20 mol 182 unq 0 iso 0 dist 8.94671 4.85077 7.86625 5.38392 9.72584 3.8657 numMergedOcc 0
21 mol 206 unq 0 iso 0 dist 7.65323 6.68626 9.99185 4.91317 8.48679 8.79113 numMergedOcc 0
22 mol 206 unq 1 iso 0 dist 7.65323 7.20088 8.31638 4.91317 8.48679 6.13816 numMergedOcc 0
23 mol 206 unq 2 iso 0 dist 8.63033 12.1408 9.72979 9.30262 7.44186 6.13816 numMergedOcc 0
24 mol 206 unq 3 iso 0 dist 8.63033 9.19627 6.97859 9.30262 7.44186 9.20417 numMergedOcc 0
25 mol 210 unq 0 iso 0 dist 6.24111 13.3929 9.67457 10.6912 8.78286 17.8124 numMergedOcc 0
26 mol 210 unq 1 iso 0 dist 9.00343 12.3088 9.67457 15.1716 8.78286 17.8124 numMergedOcc 0
27 mol 210 unq 2 iso 0 dist 6.41444 13.3774 9.67457 11.533 8.78286 17.8124 numMergedOcc 0
28 mol 214 unq 0 iso 0 dist 9.81136 17.404 8.49704 13.2303 5.10016 10.2428 numMergedOcc 0
29 mol 220 unq 0 iso 0 dist 9.17355 8.70715 8.48112 8.34455 5.05353 3.91796 numMergedOcc 0
30 mol 220 unq 1 iso 0 dist 8.5434 8.22716 8.48112 6.08894 5.05353 3.91796 numMergedOcc 0
31 mol 239 unq 0 iso 0 dist 6.00654 10.1196 9.37996 12.6605 9.42537 4.97388 numMergedOcc 0
32 mol 259 unq 0 iso 0 dist 8.73077 13.6207 6.77279 13.1019 7.94491 4.51538 numMergedOcc 0
33 mol 259 unq 1 iso 0 dist 8.73077 16.6797 9.58006 13.1019 7.94491 9.08426 numMergedOcc 0
34 mol 259 unq 2 iso 0 dist 6.76656 10.908 6.77279 12.1307 7.94491 4.51538 numMergedOcc 0
35 mol 259 unq 3 iso 0 dist 6.76656 12.7595 9.58006 12.1307 7.94491 9.08426 numMergedOcc 0
36 mol 282 unq 0 iso 0 dist 7.93511 9.67023 5.67266 6.54168 8.69145 10.3469 numMergedOcc 0
37 mol 283 unq 0 iso 0 dist 7.53773 4.69801 9.53225 5.25699 5.7378 6.79513 numMergedOcc 0
38 mol 284 unq 0 iso 0 dist 8.60951 4.59796 8.10742 6.67528 9.87409 3.94511 numMergedOcc 0
39 mol 284 unq 1 iso 0 dist 8.60951 4.59796 8.10742 9.57806 8.97383 6.89341 numMergedOcc 0
40 mol 285 unq 0 iso 0 dist 4.74716 5.93692 8.71213 6.63786 8.45077 6.40962 numMergedOcc 0
