0 mol 9 unq 0 iso 0 dist 8.01055 11.9469 6.3 15.1393 9.00634 9.80204 numMergedOcc 0
1 mol 9 unq 1 iso 0 dist 8.01055 12.8654 5.92069 15.1393 9.00634 10.4857 numMergedOcc 0
2 mol 29 unq 0 iso 0 dist 5.36278 4.10356 7.28761 5.3571 9.78134 6.0516 numMergedOcc 0
3 mol 29 unq 1 iso 0 dist 7.50258 10.3687 7.28761 12.1835 9.78134 6.0516 numMergedOcc 0
4 mol 41 unq 0 iso 0 dist 6.75602 7.22319 9.88728 5.42185 6.35506 9.70611 numMergedOcc 0
5 mol 43 unq 0 iso 0 dist 8.84944 10.9311 7.32236 7.20713 6.57633 4.03744 numMergedOcc 0
6 mol 43 unq 1 iso 0 dist 7.21995 6.43999 7.32236 6.53557 6.57633 4.03744 numMergedOcc 0
7 mol 73 unq 0 iso 0 dist 8.90896 17.8503 9.20427 11.5216 9.79061 12.7893 numMergedOcc 0
8 mol 73 unq 1 iso 0 dist 4.34694 11.6826 8.80003 4.93697 7.47162 12.0556 numMergedOcc 0
9 mol 85 unq 0 iso 0 dist 7.57394 9.93652 9.71134 4.41928 5.58681 6.23263 numMergedOcc 0
10 mol 114 unq 0 iso 0 dist 6.54778 13.6126 9.68809 5.33859 8.40389 14.1047 numMergedOcc 0
11 mol 114 unq 1 iso 0 dist 8.57909 7.56584 9.68809 10.2125 8.40389 14.1047 numMergedOcc 0
12 mol 132 unq 0 iso 0 dist 6.94745 3.8377 7.28945 7.05332 8.40461 9.21982 numMergedOcc 0
13 mol 152 unq 0 iso 0 dist 9.65031 10.9552 9.17101 7.28039 7.94976 3.90634 numMergedOcc 0
14 mol 152 unq 1 iso 0 dist 8.51844 6.05258 9.17101 5.51498 7.94976 3.90634 numMergedOcc 0
15 mol 158 unq 0 iso 0 dist 9.96635 10.1247 8.79758 7.76298 7.68074 3.40919 numMergedOcc 0
16 mol 158 unq 1 iso 0 dist 9.96635 10.1247 8.79758 8.17573 9.1854 9.88034 numMergedOcc 0
17 mol 159 unq 0 iso 0 dist 9.9368 13.464 7.67418 15.7186 9.45909 3.29432 numMergedOcc 0
18 mol 170 unq 0 iso 0 dist 4.44987 5.80243 7.45761 5.22242 8.38932 10.1568 numMergedOcc 0
19 mol 183 unq 0 iso 0 dist 8.84987 7.51182 8.05235 5.62792 7.50455 4.03 numMergedOcc 0
20 mol 186 unq 0 iso 0 dist 6.72718 11.4764 8.11956 13.4486 8.09915 4.4877 numMergedOcc 0
21 mol 210 unq 0 iso 0 dist 8.05949 11.533 6.93215 10.8542 7.80421 3.61565 numMergedOcc 0
22 mol 210 unq 1 iso 0 dist 8.05949 11.533 6.93215 14.6074 9.71107 12.0662 numMergedOcc 0
23 mol 210 unq 2 iso 0 dist 8.05949 11.533 6.93215 13.6787 9.7449 13.912 numMergedOcc 0
24 mol 224 unq 0 iso 0 dist 7.96226 5.17472 8.96074 11.5205 7.92513 8.8184 numMergedOcc 0
25 mol 224 unq 1 iso 0 dist 8.82663 9.33375 8.96074 4.22586 7.92513 8.8184 numMergedOcc 0
26 mol 236 unq 0 iso 0 dist 8.63249 7.78433 8.62356 15.0178 8.75172 9.95991 numMergedOcc 0
27 mol 236 unq 1 iso 0 dist 7.74348 14.1635 8.62356 7.69003 8.75172 9.95991 numMergedOcc 0
28 mol 279 unq 0 iso 0 dist 7.83793 16.4846 9.65535 12.7149 8.49945 6.51004 numMergedOcc 0
29 mol 279 unq 1 iso 0 dist 7.83793 16.4846 9.65535 7.60708 9.68415 13.7436 numMergedOcc 0
30 mol 279 unq 2 iso 0 dist 7.83793 12.7862 8.82519 12.7149 8.49945 6.24409 numMergedOcc 0
31 mol 279 unq 3 iso 0 dist 7.83793 12.7862 8.82519 7.60708 9.68415 8.66313 numMergedOcc 0
