0 mol 5 unq 0 iso 0 dist 5.63583 5.17677 9.45559 5.58988 7.4332 4.84696 numMergedOcc 0
1 mol 5 unq 0 iso 1 dist 5.63583 5.58988 7.4332 5.17677 9.45559 4.84696 numMergedOcc 0
2 mol 9 unq 0 iso 0 dist 3.71928 4.6016 4.75533 5.97672 5.85081 5.47 numMergedOcc 0
3 mol 9 unq 0 iso 1 dist 3.71928 5.97672 5.85081 4.6016 4.75533 5.47 numMergedOcc 0
4 mol 116 unq 0 iso 0 dist 8.74019 4.49297 9.12145 3.59945 8.11048 7.59881 numMergedOcc 0
5 mol 116 unq 0 iso 1 dist 8.74019 3.59945 8.11048 4.49297 9.12145 7.59881 numMergedOcc 0
6 mol 186 unq 0 iso 0 dist 8.74666 8.84682 7.90621 5.94727 8.0943 4.62459 numMergedOcc 0
7 mol 186 unq 0 iso 1 dist 8.74666 5.94727 8.0943 8.84682 7.90621 4.62459 numMergedOcc 0
8 mol 192 unq 0 iso 0 dist 5.99974 10.4305 5.5223 13.2584 8.00501 4.98308 numMergedOcc 0
9 mol 192 unq 0 iso 1 dist 5.99974 13.2584 8.00501 10.4305 5.5223 4.98308 numMergedOcc 0
10 mol 204 unq 0 iso 0 dist 4.90334 5.96019 9.41594 8.84143 9.92651 4.97009 numMergedOcc 0
11 mol 204 unq 0 iso 1 dist 4.90334 8.84143 9.92651 5.96019 9.41594 4.97009 numMergedOcc 0
12 mol 254 unq 0 iso 0 dist 9.26382 5.87303 8.30975 9.70964 8.10036 4.12416 numMergedOcc 0
13 mol 254 unq 0 iso 1 dist 9.26382 9.70964 8.10036 5.87303 8.30975 4.12416 numMergedOcc 0
14 mol 254 unq 1 iso 0 dist 9.26382 5.87303 8.30975 17.1068 8.96529 14.2091 numMergedOcc 0
15 mol 254 unq 1 iso 1 dist 9.26382 17.1068 8.96529 5.87303 8.30975 14.2091 numMergedOcc 0
16 mol 254 unq 1 iso 0 dist 9.26382 9.70964 8.10036 17.1068 8.96529 11.5654 numMergedOcc 0
17 mol 254 unq 1 iso 1 dist 9.26382 17.1068 8.96529 9.70964 8.10036 11.5654 numMergedOcc 0
18 mol 254 unq 2 iso 0 dist 9.73281 10.2805 8.30975 13.3352 8.10036 4.12416 numMergedOcc 0
19 mol 254 unq 2 iso 1 dist 9.73281 13.3352 8.10036 10.2805 8.30975 4.12416 numMergedOcc 0
20 mol 254 unq 3 iso 0 dist 9.73281 10.2805 8.30975 17.1208 8.96529 14.2091 numMergedOcc 0
21 mol 254 unq 3 iso 1 dist 9.73281 17.1208 8.96529 10.2805 8.30975 14.2091 numMergedOcc 0
22 mol 254 unq 3 iso 0 dist 9.73281 13.3352 8.10036 17.1208 8.96529 11.5654 numMergedOcc 0
23 mol 254 unq 3 iso 1 dist 9.73281 17.1208 8.96529 13.3352 8.10036 11.5654 numMergedOcc 0
24 mol 266 unq 0 iso 0 dist 9.64366 6.21107 9.80672 6.71682 9.26882 4.24347 numMergedOcc 0
25 mol 266 unq 0 iso 1 dist 9.64366 6.71682 9.26882 6.21107 9.80672 4.24347 numMergedOcc 0
26 mol 266 unq 1 iso 0 dist 9.64366 6.21107 9.80672 3.49423 9.38539 3.66295 numMergedOcc 0
27 mol 266 unq 1 iso 1 dist 9.64366 3.49423 9.38539 6.21107 9.80672 3.66295 numMergedOcc 0
28 mol 266 unq 1 iso 0 dist 9.64366 6.71682 9.26882 3.49423 9.38539 3.37902 numMergedOcc 0
29 mol 266 unq 1 iso 1 dist 9.64366 3.49423 9.38539 6.71682 9.26882 3.37902 numMergedOcc 0
30 mol 285 unq 0 iso 0 dist 8.73607 12.8568 7.08681 9.37808 4.95596 11.9982 numMergedOcc 0
31 mol 285 unq 0 iso 1 dist 8.73607 9.37808 4.95596 12.8568 7.08681 11.9982 numMergedOcc 0
32 mol 285 unq 1 iso 0 dist 8.73607 12.8568 7.08681 12.6231 6.3508 11.9803 numMergedOcc 0
33 mol 285 unq 1 iso 1 dist 8.73607 12.6231 6.3508 12.8568 7.08681 11.9803 numMergedOcc 0
34 mol 285 unq 2 iso 0 dist 8.73607 12.8568 7.08681 4.9035 8.3005 14.1264 numMergedOcc 0
35 mol 285 unq 2 iso 1 dist 8.73607 4.9035 8.3005 12.8568 7.08681 14.1264 numMergedOcc 0
36 mol 285 unq 1 iso 0 dist 8.73607 9.37808 4.95596 12.6231 6.3508 4.87372 numMergedOcc 0
37 mol 285 unq 1 iso 1 dist 8.73607 12.6231 6.3508 9.37808 4.95596 4.87372 numMergedOcc 0
38 mol 285 unq 2 iso 0 dist 8.73607 9.37808 4.95596 4.9035 8.3005 6.95388 numMergedOcc 0
39 mol 285 unq 2 iso 1 dist 8.73607 4.9035 8.3005 9.37808 4.95596 6.95388 numMergedOcc 0
40 mol 285 unq 2 iso 0 dist 8.73607 12.6231 6.3508 4.9035 8.3005 9.46838 numMergedOcc 0
41 mol 285 unq 2 iso 1 dist 8.73607 4.9035 8.3005 12.6231 6.3508 9.46838 numMergedOcc 0
42 mol 287 unq 0 iso 0 dist 9.11602 4.73745 9.77996 4.16431 6.61308 4.64789 numMergedOcc 0
43 mol 287 unq 0 iso 1 dist 9.11602 4.16431 6.61308 4.73745 9.77996 4.64789 numMergedOcc 0
44 mol 287 unq 1 iso 0 dist 9.11602 4.73745 9.77996 10.3443 6.25845 11.3248 numMergedOcc 0
45 mol 287 unq 1 iso 1 dist 9.11602 10.3443 6.25845 4.73745 9.77996 11.3248 numMergedOcc 0
46 mol 287 unq 1 iso 0 dist 9.11602 4.16431 6.61308 10.3443 6.25845 6.88737 numMergedOcc 0
47 mol 287 unq 1 iso 1 dist 9.11602 10.3443 6.25845 4.16431 6.61308 6.88737 numMergedOcc 0
48 mol 288 unq 0 iso 0 dist 9.11602 4.73745 9.77996 4.16431 6.61308 4.64789 numMergedOcc 0
49 mol 288 unq 0 iso 1 dist 9.11602 4.16431 6.61308 4.73745 9.77996 4.64789 numMergedOcc 0
50 mol 288 unq 1 iso 0 dist 9.11602 4.73745 9.77996 10.3443 6.25845 11.3248 numMergedOcc 0
51 mol 288 unq 1 iso 1 dist 9.11602 10.3443 6.25845 4.73745 9.77996 11.3248 numMergedOcc 0
52 mol 288 unq 1 iso 0 dist 9.11602 4.16431 6.61308 10.3443 6.25845 6.88737 numMergedOcc 0
53 mol 288 unq 1 iso 1 dist 9.11602 10.3443 6.25845 4.16431 6.61308 6.88737 numMergedOcc 0
54 mol 289 unq 0 iso 0 dist 9.11602 4.73745 9.77996 4.16431 6.61308 4.64789 numMergedOcc 0
55 mol 289 unq 0 iso 1 dist 9.11602 4.16431 6.61308 4.73745 9.77996 4.64789 numMergedOcc 0
56 mol 289 unq 1 iso 0 dist 9.11602 4.73745 9.77996 10.3443 6.25845 11.3248 numMergedOcc 0
57 mol 289 unq 1 iso 1 dist 9.11602 10.3443 6.25845 4.73745 9.77996 11.3248 numMergedOcc 0
58 mol 289 unq 1 iso 0 dist 9.11602 4.16431 6.61308 10.3443 6.25845 6.88737 numMergedOcc 0
59 mol 289 unq 1 iso 1 dist 9.11602 10.3443 6.25845 4.16431 6.61308 6.88737 numMergedOcc 0
