0 mol 26 unq 0 iso 0 dist 9.06516 6.79475 9.56136 11.553 6.81793 9.82888 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 6.79475 9.06516 9.56136 7.26595 9.96912 12.3279 numMergedOcc 0
2 mol 58 unq 0 iso 0 dist 7.03126 7.60018 3.6461 11.6859 9.02642 11.5677 numMergedOcc 0
3 mol 59 unq 0 iso 0 dist 6.52887 8.35444 13.6068 5.80538 8.65144 13.2682 numMergedOcc 0
4 mol 72 unq 0 iso 0 dist 5.4605 9.37102 5.17981 4.67641 7.58875 11.7561 numMergedOcc 0
5 mol 72 unq 1 iso 0 dist 5.4605 6.53824 4.85556 4.67641 7.58875 6.91169 numMergedOcc 0
6 mol 72 unq 2 iso 0 dist 6.53824 9.37102 9.85358 4.67641 6.91169 11.7561 numMergedOcc 0
7 mol 72 unq 3 iso 0 dist 6.53824 5.4605 4.85556 4.67641 6.91169 7.58875 numMergedOcc 0
8 mol 72 unq 4 iso 0 dist 6.1906 8.8184 5.17981 4.5168 7.58875 11.7561 numMergedOcc 0
9 mol 72 unq 5 iso 0 dist 6.1906 8.70809 4.86472 4.5168 7.58875 9.52749 numMergedOcc 0
10 mol 72 unq 6 iso 0 dist 6.1906 7.67686 4.85556 4.5168 7.58875 6.91169 numMergedOcc 0
11 mol 72 unq 7 iso 0 dist 8.70809 8.8184 8.549 4.5168 9.52749 11.7561 numMergedOcc 0
12 mol 72 unq 8 iso 0 dist 8.70809 6.1906 4.86472 4.5168 9.52749 7.58875 numMergedOcc 0
13 mol 72 unq 9 iso 0 dist 8.70809 7.67686 3.44489 4.5168 9.52749 6.91169 numMergedOcc 0
14 mol 72 unq 10 iso 0 dist 7.67686 8.8184 9.85358 4.5168 6.91169 11.7561 numMergedOcc 0
15 mol 72 unq 11 iso 0 dist 7.67686 6.1906 4.85556 4.5168 6.91169 7.58875 numMergedOcc 0
16 mol 72 unq 12 iso 0 dist 7.67686 8.70809 3.44489 4.5168 6.91169 9.52749 numMergedOcc 0
17 mol 72 unq 13 iso 0 dist 6.7272 7.93683 5.17981 7.04549 7.58875 11.7561 numMergedOcc 0
18 mol 72 unq 14 iso 0 dist 6.7272 7.64009 9.20237 7.04549 7.58875 14.0067 numMergedOcc 0
19 mol 98 unq 0 iso 0 dist 4.44979 6.61111 6.70343 10.2677 9.25444 9.84703 numMergedOcc 0
20 mol 98 unq 1 iso 0 dist 4.44979 6.61111 6.70343 5.71029 8.46823 4.62494 numMergedOcc 0
21 mol 98 unq 2 iso 0 dist 6.61111 4.44979 6.70343 10.2677 9.84703 9.25444 numMergedOcc 0
22 mol 98 unq 3 iso 0 dist 6.61111 4.44979 6.70343 5.71029 4.62494 8.46823 numMergedOcc 0
23 mol 112 unq 0 iso 0 dist 8.91262 6.12922 5.11 10.8329 8.72725 6.11407 numMergedOcc 0
24 mol 112 unq 1 iso 0 dist 6.12922 8.91262 5.11 10.8329 6.11407 8.72725 numMergedOcc 0
25 mol 119 unq 0 iso 0 dist 9.08536 6.55202 12.7135 15.4934 8.67537 20.5375 numMergedOcc 0
26 mol 134 unq 0 iso 0 dist 5.73203 6.57379 4.87973 12.2578 7.83568 12.0743 numMergedOcc 0
27 mol 135 unq 0 iso 0 dist 7.6337 9.09753 3.61409 11.52 7.28318 9.54123 numMergedOcc 0
28 mol 135 unq 1 iso 0 dist 7.6337 9.09753 3.61409 7.69819 7.17599 10.5562 numMergedOcc 0
29 mol 167 unq 0 iso 0 dist 7.30954 9.1326 6.81449 6.09121 8.86449 12.89 numMergedOcc 0
30 mol 181 unq 0 iso 0 dist 9.09234 6.76746 11.196 11.5017 8.12266 10.5303 numMergedOcc 0
31 mol 181 unq 1 iso 0 dist 9.09234 8.92098 10.1041 11.5017 8.12266 9.43306 numMergedOcc 0
32 mol 181 unq 2 iso 0 dist 6.76746 9.09234 11.196 7.30555 5.99437 12.6232 numMergedOcc 0
33 mol 181 unq 3 iso 0 dist 6.76746 8.92098 3.55187 7.30555 5.99437 8.4848 numMergedOcc 0
34 mol 181 unq 4 iso 0 dist 8.92098 9.09234 10.1041 11.5017 9.43306 8.12266 numMergedOcc 0
35 mol 181 unq 5 iso 0 dist 8.92098 9.09234 10.1041 7.30555 8.4848 12.6232 numMergedOcc 0
36 mol 181 unq 6 iso 0 dist 8.92098 6.76746 3.55187 11.5017 9.43306 10.5303 numMergedOcc 0
37 mol 181 unq 7 iso 0 dist 8.92098 6.76746 3.55187 7.30555 8.4848 5.99437 numMergedOcc 0
38 mol 194 unq 0 iso 0 dist 7.10155 6.11135 5.31005 4.26755 9.00322 9.94082 numMergedOcc 0
39 mol 194 unq 1 iso 0 dist 6.11135 7.10155 5.31005 4.34256 9.32959 10.3575 numMergedOcc 0
40 mol 194 unq 2 iso 0 dist 6.11135 7.10155 5.31005 4.79043 8.64056 11.2491 numMergedOcc 0
41 mol 267 unq 0 iso 0 dist 5.08174 6.32877 11.3792 10.0939 6.27154 15.858 numMergedOcc 0
42 mol 267 unq 1 iso 0 dist 5.08174 9.48115 13.5886 10.0939 6.27154 19.1755 numMergedOcc 0
43 mol 267 unq 2 iso 0 dist 5.08174 8.38545 7.9327 10.0939 6.27154 13.6048 numMergedOcc 0
44 mol 267 unq 3 iso 0 dist 5.08174 6.10838 3.51278 10.0939 6.27154 9.32688 numMergedOcc 0
