0 mol 9 unq 0 iso 0 dist 9.8978 11.3797 9.62394 5.3866 8.076 11.0722 numMergedOcc 0
1 mol 9 unq 1 iso 0 dist 9.8978 11.3797 9.62394 10.6991 6.32226 14.814 numMergedOcc 0
2 mol 9 unq 2 iso 0 dist 6.26276 11.7623 9.62394 6.49896 8.076 11.0722 numMergedOcc 0
3 mol 9 unq 3 iso 0 dist 6.26276 11.7623 9.62394 5.55187 6.32226 14.814 numMergedOcc 0
4 mol 9 unq 4 iso 0 dist 9.99657 6.53202 8.48677 13.823 5.71201 11.4245 numMergedOcc 0
5 mol 27 unq 0 iso 0 dist 5.66743 9.49066 9.52474 5.82138 7.45532 13.9181 numMergedOcc 0
6 mol 27 unq 1 iso 0 dist 7.42669 4.91484 9.52474 9.93763 7.45532 13.9181 numMergedOcc 0
7 mol 58 unq 0 iso 0 dist 5.84625 5.40367 8.80614 9.05877 6.62229 10.4524 numMergedOcc 0
8 mol 92 unq 0 iso 0 dist 7.7913 4.73713 5.9465 7.34488 9.05259 5.69731 numMergedOcc 0
9 mol 92 unq 1 iso 0 dist 7.7913 4.36394 6.97962 7.34488 9.05259 4.14907 numMergedOcc 0
10 mol 92 unq 2 iso 0 dist 7.7913 14.0487 9.95342 7.34488 9.05259 11.0506 numMergedOcc 0
11 mol 98 unq 0 iso 0 dist 5.94696 12.4265 6.7117 11.7159 8.43352 7.32662 numMergedOcc 0
12 mol 98 unq 1 iso 0 dist 5.94696 7.1452 4.47349 11.7159 8.43352 6.934 numMergedOcc 0
13 mol 98 unq 2 iso 0 dist 5.94696 4.96747 5.65185 11.7159 8.43352 7.17433 numMergedOcc 0
14 mol 114 unq 0 iso 0 dist 8.96382 8.14567 6.84011 5.84023 9.17466 11.177 numMergedOcc 0
15 mol 126 unq 0 iso 0 dist 8.97111 4.84035 6.30546 5.93497 5.94233 5.5703 numMergedOcc 0
16 mol 135 unq 0 iso 0 dist 5.43728 8.13139 5.62052 12.9549 9.40325 5.66293 numMergedOcc 0
17 mol 135 unq 1 iso 0 dist 5.43728 8.13139 5.62052 5.43919 8.25527 7.79226 numMergedOcc 0
18 mol 135 unq 2 iso 0 dist 5.43728 8.13139 5.62052 7.00502 8.83856 13.2293 numMergedOcc 0
19 mol 135 unq 3 iso 0 dist 5.43728 5.88534 7.85645 12.9549 9.40325 10.1275 numMergedOcc 0
20 mol 135 unq 4 iso 0 dist 5.43728 5.88534 7.85645 5.43919 8.25527 6.99298 numMergedOcc 0
21 mol 135 unq 5 iso 0 dist 5.43728 5.88534 7.85645 7.00502 8.83856 12.8689 numMergedOcc 0
22 mol 171 unq 0 iso 0 dist 6.21194 9.22906 9.61462 5.31547 8.1536 5.487 numMergedOcc 0
23 mol 206 unq 0 iso 0 dist 8.15381 5.70669 8.07687 5.87422 9.14486 7.33454 numMergedOcc 0
24 mol 220 unq 0 iso 0 dist 7.4513 8.0303 6.59716 5.37508 5.37796 6.17628 numMergedOcc 0
25 mol 226 unq 0 iso 0 dist 7.04477 10.0275 8.80683 7.77366 6.26945 10.142 numMergedOcc 0
26 mol 226 unq 1 iso 0 dist 7.04477 5.47434 6.11704 7.77366 6.26945 6.05184 numMergedOcc 0
27 mol 232 unq 0 iso 0 dist 7.83422 9.60401 9.05071 7.65577 8.28466 14.8035 numMergedOcc 0
28 mol 237 unq 0 iso 0 dist 8.42502 10.0582 9.20822 6.68355 5.06628 5.65087 numMergedOcc 0
29 mol 243 unq 0 iso 0 dist 8.55613 11.7757 7.49645 4.2759 7.44706 11.3773 numMergedOcc 0
30 mol 243 unq 1 iso 0 dist 8.55613 11.9474 9.9222 4.2759 7.44706 13.3907 numMergedOcc 0
