0 mol 28 unq 0 iso 0 dist 8.06843 12.0732 8.02162 5.44908 9.74532 12.4282 numMergedOcc 0
1 mol 48 unq 0 iso 0 dist 6.77802 4.62339 7.37491 3.42062 9.05737 7.84827 numMergedOcc 0
2 mol 48 unq 1 iso 0 dist 9.07283 5.24524 9.77004 5.7037 9.05737 6.38985 numMergedOcc 0
3 mol 62 unq 0 iso 0 dist 6.51901 11.6906 9.52356 4.29679 4.46067 8.79328 numMergedOcc 0
4 mol 62 unq 1 iso 0 dist 9.1926 16.8488 9.52356 8.07308 4.46067 8.79328 numMergedOcc 0
5 mol 63 unq 0 iso 0 dist 8.06894 10.2511 9.07614 11.2724 8.14512 10.9354 numMergedOcc 0
6 mol 63 unq 1 iso 0 dist 8.06894 8.58152 9.21258 11.2724 8.14512 10.749 numMergedOcc 0
7 mol 63 unq 2 iso 0 dist 5.89846 9.80559 9.07614 6.63195 8.14512 10.9354 numMergedOcc 0
8 mol 63 unq 3 iso 0 dist 5.89846 6.8609 9.21258 6.63195 8.14512 10.749 numMergedOcc 0
9 mol 85 unq 0 iso 0 dist 9.27814 15.4847 9.22903 11.9486 4.18248 5.81844 numMergedOcc 0
10 mol 90 unq 0 iso 0 dist 6.77993 4.98478 9.47481 3.79142 5.24346 7.58344 numMergedOcc 0
11 mol 93 unq 0 iso 0 dist 8.23294 6.433 7.37377 3.27874 5.20429 4.98735 numMergedOcc 0
12 mol 111 unq 0 iso 0 dist 6.33923 4.53184 7.36025 3.83194 4.91212 4.21801 numMergedOcc 0
13 mol 111 unq 1 iso 0 dist 6.33923 4.53184 7.36025 5.56913 9.34782 10.0002 numMergedOcc 0
14 mol 111 unq 2 iso 0 dist 9.9801 4.53184 9.60251 3.83194 9.74162 4.21801 numMergedOcc 0
15 mol 111 unq 3 iso 0 dist 8.51084 5.25493 8.48433 7.42165 4.91212 4.58626 numMergedOcc 0
16 mol 111 unq 4 iso 0 dist 8.51084 5.25493 8.48433 7.93667 9.74162 3.78254 numMergedOcc 0
17 mol 141 unq 0 iso 0 dist 8.14978 13.0903 9.80185 9.809 4.88514 14.6304 numMergedOcc 0
18 mol 194 unq 0 iso 0 dist 4.42095 13.9253 9.60788 3.83542 5.18325 13.2754 numMergedOcc 0
19 mol 194 unq 1 iso 0 dist 4.42095 13.9253 9.60788 4.02402 4.68722 13.5754 numMergedOcc 0
20 mol 194 unq 2 iso 0 dist 4.63898 10.4232 9.60788 8.31549 4.68722 13.5754 numMergedOcc 0
21 mol 194 unq 3 iso 0 dist 4.63898 10.4232 9.60788 4.98625 5.18325 13.2754 numMergedOcc 0
22 mol 194 unq 4 iso 0 dist 9.53641 14.7844 9.60788 7.40457 4.68722 13.5754 numMergedOcc 0
23 mol 194 unq 5 iso 0 dist 9.53641 14.7844 9.60788 8.48051 5.18325 13.2754 numMergedOcc 0
24 mol 199 unq 0 iso 0 dist 9.72197 5.81963 7.49503 5.47515 9.64363 4.94532 numMergedOcc 0
25 mol 199 unq 1 iso 0 dist 9.72197 14.5282 9.2815 5.47515 9.64363 12.6999 numMergedOcc 0
26 mol 213 unq 0 iso 0 dist 5.90026 11.6202 6.81437 5.16198 7.93317 10.5963 numMergedOcc 0
27 mol 213 unq 1 iso 0 dist 8.86496 14.5892 6.81437 10.4575 7.93317 10.5963 numMergedOcc 0
28 mol 243 unq 0 iso 0 dist 7.39884 7.62457 9.7465 5.38511 4.55853 5.39544 numMergedOcc 0
29 mol 260 unq 0 iso 0 dist 9.11501 7.2156 8.43724 9.99682 7.04263 13.0517 numMergedOcc 0
30 mol 260 unq 1 iso 0 dist 9.11501 7.2156 8.43724 7.52009 6.48099 5.75061 numMergedOcc 0
31 mol 266 unq 0 iso 0 dist 7.43884 6.10072 7.66814 11.4637 7.80711 6.83135 numMergedOcc 0
32 mol 266 unq 1 iso 0 dist 7.43884 6.10072 7.66814 12.3524 9.9965 13.3286 numMergedOcc 0
33 mol 283 unq 0 iso 0 dist 9.82274 6.97677 8.91437 4.3196 7.31132 9.02852 numMergedOcc 0
34 mol 283 unq 1 iso 0 dist 7.17276 5.08363 8.91437 6.30031 7.31132 9.02852 numMergedOcc 0
35 mol 284 unq 0 iso 0 dist 5.2862 5.61341 8.2474 5.88619 5.6964 9.61671 numMergedOcc 0
36 mol 284 unq 1 iso 0 dist 5.31097 5.28356 8.2474 4.57529 5.6964 9.61671 numMergedOcc 0
37 mol 287 unq 0 iso 0 dist 8.15636 12.4032 7.81225 11.4888 6.24487 4.01495 numMergedOcc 0
38 mol 288 unq 0 iso 0 dist 8.15636 12.4032 7.81225 11.4888 6.24487 4.01495 numMergedOcc 0
39 mol 289 unq 0 iso 0 dist 8.15636 12.4032 7.81225 11.4888 6.24487 4.01495 numMergedOcc 0
