0 mol 59 unq 0 iso 0 dist 9.34271 14.4502 8.69574 18.5144 9.38538 10.8667 numMergedOcc 0
1 mol 59 unq 0 iso 1 dist 8.69574 14.4502 9.34271 10.8667 9.38538 18.5144 numMergedOcc 0
2 mol 83 unq 0 iso 0 dist 9.94528 6.07706 8.94777 10.4266 8.99451 7.34738 numMergedOcc 0
3 mol 83 unq 0 iso 1 dist 8.94777 6.07706 9.94528 7.34738 8.99451 10.4266 numMergedOcc 0
4 mol 83 unq 1 iso 0 dist 9.94528 10.6092 9.47551 10.4266 8.99451 15.2006 numMergedOcc 0
5 mol 83 unq 1 iso 1 dist 9.47551 10.6092 9.94528 15.2006 8.99451 10.4266 numMergedOcc 0
6 mol 83 unq 1 iso 0 dist 8.94777 14.4438 9.47551 7.34738 8.99451 15.2006 numMergedOcc 0
7 mol 83 unq 1 iso 1 dist 9.47551 14.4438 8.94777 15.2006 8.99451 7.34738 numMergedOcc 0
8 mol 92 unq 0 iso 0 dist 5.48163 6.46167 7.7399 4.00884 6.89071 4.1125 numMergedOcc 0
9 mol 92 unq 0 iso 1 dist 7.7399 6.46167 5.48163 4.1125 6.89071 4.00884 numMergedOcc 0
10 mol 92 unq 1 iso 0 dist 8.23055 3.58204 8.30746 7.47544 8.43964 4.16536 numMergedOcc 0
11 mol 92 unq 1 iso 1 dist 8.30746 3.58204 8.23055 4.16536 8.43964 7.47544 numMergedOcc 0
12 mol 116 unq 0 iso 0 dist 8.50194 9.4971 8.24233 5.57288 8.58308 10.5065 numMergedOcc 0
13 mol 116 unq 0 iso 1 dist 8.24233 9.4971 8.50194 10.5065 8.58308 5.57288 numMergedOcc 0
14 mol 129 unq 0 iso 0 dist 7.93106 9.44114 7.04904 9.8725 8.98175 7.03404 numMergedOcc 0
15 mol 129 unq 0 iso 1 dist 7.04904 9.44114 7.93106 7.03404 8.98175 9.8725 numMergedOcc 0
16 mol 205 unq 0 iso 0 dist 8.25174 5.24814 9.16671 6.34004 7.24614 6.88779 numMergedOcc 0
17 mol 205 unq 0 iso 1 dist 9.16671 5.24814 8.25174 6.88779 7.24614 6.34004 numMergedOcc 0
18 mol 232 unq 0 iso 0 dist 8.54126 9.60695 7.64079 9.74489 9.89191 16.2642 numMergedOcc 0
19 mol 232 unq 0 iso 1 dist 7.64079 9.60695 8.54126 16.2642 9.89191 9.74489 numMergedOcc 0
20 mol 280 unq 0 iso 0 dist 9.22665 9.41086 9.84708 10.1117 9.47429 12.9357 numMergedOcc 0
21 mol 280 unq 0 iso 1 dist 9.84708 9.41086 9.22665 12.9357 9.47429 10.1117 numMergedOcc 0
22 mol 281 unq 0 iso 0 dist 9.13909 10.3921 4.29351 13.2757 6.8089 10.5882 numMergedOcc 0
23 mol 281 unq 0 iso 1 dist 4.29351 10.3921 9.13909 10.5882 6.8089 13.2757 numMergedOcc 0
24 mol 287 unq 0 iso 0 dist 8.71974 13.2704 8.82649 9.60695 9.23152 16.0897 numMergedOcc 0
25 mol 287 unq 0 iso 1 dist 8.82649 13.2704 8.71974 16.0897 9.23152 9.60695 numMergedOcc 0
26 mol 287 unq 1 iso 0 dist 8.71974 14.9131 7.35776 9.60695 9.23152 12.1974 numMergedOcc 0
27 mol 287 unq 1 iso 1 dist 7.35776 14.9131 8.71974 12.1974 9.23152 9.60695 numMergedOcc 0
28 mol 287 unq 1 iso 0 dist 8.82649 8.46742 7.35776 16.0897 9.23152 12.1974 numMergedOcc 0
29 mol 287 unq 1 iso 1 dist 7.35776 8.46742 8.82649 12.1974 9.23152 16.0897 numMergedOcc 0
30 mol 288 unq 0 iso 0 dist 8.71974 13.2704 8.82649 9.60695 9.23152 16.0897 numMergedOcc 0
31 mol 288 unq 0 iso 1 dist 8.82649 13.2704 8.71974 16.0897 9.23152 9.60695 numMergedOcc 0
32 mol 288 unq 1 iso 0 dist 8.71974 14.9131 7.35776 9.60695 9.23152 12.1974 numMergedOcc 0
33 mol 288 unq 1 iso 1 dist 7.35776 14.9131 8.71974 12.1974 9.23152 9.60695 numMergedOcc 0
34 mol 288 unq 1 iso 0 dist 8.82649 8.46742 7.35776 16.0897 9.23152 12.1974 numMergedOcc 0
35 mol 288 unq 1 iso 1 dist 7.35776 8.46742 8.82649 12.1974 9.23152 16.0897 numMergedOcc 0
36 mol 289 unq 0 iso 0 dist 8.71974 13.2704 8.82649 9.60695 9.23152 16.0897 numMergedOcc 0
37 mol 289 unq 0 iso 1 dist 8.82649 13.2704 8.71974 16.0897 9.23152 9.60695 numMergedOcc 0
38 mol 289 unq 1 iso 0 dist 8.71974 14.9131 7.35776 9.60695 9.23152 12.1974 numMergedOcc 0
39 mol 289 unq 1 iso 1 dist 7.35776 14.9131 8.71974 12.1974 9.23152 9.60695 numMergedOcc 0
40 mol 289 unq 1 iso 0 dist 8.82649 8.46742 7.35776 16.0897 9.23152 12.1974 numMergedOcc 0
41 mol 289 unq 1 iso 1 dist 7.35776 8.46742 8.82649 12.1974 9.23152 16.0897 numMergedOcc 0
