0 mol 32 unq 0 iso 0 dist 8.89682 6.67704 10.4533 5.43691 13.5065 6.67079 numMergedOcc 0
1 mol 39 unq 0 iso 0 dist 9.81466 5.75355 6.78285 6.81472 12.4185 8.91743 numMergedOcc 0
2 mol 39 unq 1 iso 0 dist 9.81466 5.75355 6.78285 5.56632 13.1444 7.78346 numMergedOcc 0
3 mol 39 unq 2 iso 0 dist 7.38082 7.78346 7.6174 11.2292 15.6103 8.91743 numMergedOcc 0
4 mol 39 unq 3 iso 0 dist 7.38082 7.78346 7.6174 5.56632 10.0988 5.75355 numMergedOcc 0
5 mol 71 unq 0 iso 0 dist 4.87423 8.72533 10.1334 3.843 4.76283 9.14345 numMergedOcc 0
6 mol 71 unq 1 iso 0 dist 4.76283 9.14345 10.1334 3.843 4.87423 8.72533 numMergedOcc 0
7 mol 71 unq 2 iso 0 dist 7.75237 8.72533 8.8528 3.843 10.8022 9.14345 numMergedOcc 0
8 mol 96 unq 0 iso 0 dist 9.73668 8.9536 10.5085 5.82135 13.3897 9.87414 numMergedOcc 0
9 mol 98 unq 0 iso 0 dist 8.87856 6.04768 11.3708 5.4823 11.3126 9.40173 numMergedOcc 0
10 mol 98 unq 1 iso 0 dist 6.2491 6.04768 7.43547 5.4823 3.59451 9.40173 numMergedOcc 0
11 mol 98 unq 2 iso 0 dist 3.59451 9.40173 7.43547 5.4823 6.2491 6.04768 numMergedOcc 0
12 mol 119 unq 0 iso 0 dist 7.26463 8.61574 13.6411 5.42145 12.1477 9.57532 numMergedOcc 0
13 mol 156 unq 0 iso 0 dist 6.47989 8.32841 5.46268 11.1396 9.91857 6.56065 numMergedOcc 0
14 mol 224 unq 0 iso 0 dist 9.59565 9.69753 4.33786 7.84836 9.96759 6.74625 numMergedOcc 0
15 mol 224 unq 1 iso 0 dist 7.8316 6.74625 7.03654 7.84836 13.683 9.69753 numMergedOcc 0
16 mol 224 unq 2 iso 0 dist 9.96759 6.74625 4.33786 7.84836 9.59565 9.69753 numMergedOcc 0
17 mol 226 unq 0 iso 0 dist 9.05082 6.82883 7.93097 8.0668 15.1102 8.22518 numMergedOcc 0
18 mol 226 unq 1 iso 0 dist 9.05082 6.82883 7.93097 12.401 12.6814 6.02803 numMergedOcc 0
19 mol 226 unq 2 iso 0 dist 9.05082 6.95495 4.87605 6.70225 10.7249 7.57964 numMergedOcc 0
20 mol 279 unq 0 iso 0 dist 8.36655 5.21664 13.4771 10.7055 15.937 8.6522 numMergedOcc 0
21 mol 279 unq 1 iso 0 dist 8.36655 5.21664 13.4771 7.32436 12.2658 7.31529 numMergedOcc 0
22 mol 279 unq 2 iso 0 dist 8.76889 8.6522 12.7014 6.55493 7.04397 7.31529 numMergedOcc 0
23 mol 279 unq 3 iso 0 dist 8.76889 8.6522 12.7014 10.7055 10.6842 5.21664 numMergedOcc 0
24 mol 279 unq 4 iso 0 dist 7.04397 7.31529 12.7014 6.55493 8.76889 8.6522 numMergedOcc 0
25 mol 279 unq 5 iso 0 dist 7.04397 7.31529 12.7014 7.32436 10.6842 5.21664 numMergedOcc 0
26 mol 279 unq 6 iso 0 dist 6.37469 8.6522 9.63044 6.55493 11.2253 7.31529 numMergedOcc 0
27 mol 279 unq 7 iso 0 dist 6.37469 8.6522 9.63044 10.7055 11.3593 5.21664 numMergedOcc 0
