0 mol 2 unq 0 iso 0 dist 7.37296 9.04604 8.66587 11.6166 9.08872 16.7503 numMergedOcc 0
1 mol 10 unq 0 iso 0 dist 8.99402 6.05338 5.30796 10.3489 9.1686 12.0705 numMergedOcc 0
2 mol 10 unq 1 iso 0 dist 8.99402 6.05338 5.30796 15.2253 7.3489 12.0846 numMergedOcc 0
3 mol 12 unq 0 iso 0 dist 6.65398 9.20201 4.98378 6.90032 5.9021 10.5896 numMergedOcc 0
4 mol 54 unq 0 iso 0 dist 6.79881 5.53875 4.94373 6.01538 9.89535 10.5566 numMergedOcc 0
5 mol 55 unq 0 iso 0 dist 9.30367 8.37045 5.80038 15.0918 6.67079 12.1651 numMergedOcc 0
6 mol 55 unq 1 iso 0 dist 6.67079 7.01944 4.11996 15.0918 9.30367 12.7358 numMergedOcc 0
7 mol 55 unq 2 iso 0 dist 7.14636 7.01944 5.27768 8.81759 9.53303 12.7105 numMergedOcc 0
8 mol 64 unq 0 iso 0 dist 9.3473 7.72437 5.41569 6.90646 8.14932 10.6516 numMergedOcc 0
9 mol 64 unq 1 iso 0 dist 6.08228 8.61926 7.41847 6.36389 6.17846 12.7242 numMergedOcc 0
10 mol 64 unq 2 iso 0 dist 6.08228 8.61926 7.41847 12.1186 9.86958 11.9691 numMergedOcc 0
11 mol 64 unq 3 iso 0 dist 7.24183 8.64746 5.78769 5.76037 7.8986 11.4891 numMergedOcc 0
12 mol 86 unq 0 iso 0 dist 8.39046 6.15896 5.04401 11.994 8.76689 10.298 numMergedOcc 0
13 mol 86 unq 1 iso 0 dist 8.39046 7.51187 5.83667 11.994 8.76689 14.0948 numMergedOcc 0
14 mol 100 unq 0 iso 0 dist 6.60356 6.0026 8.57632 9.81157 7.11187 13.5213 numMergedOcc 0
15 mol 105 unq 0 iso 0 dist 8.80388 9.3724 11.2006 4.40288 8.8689 11.9149 numMergedOcc 0
16 mol 105 unq 1 iso 0 dist 7.28156 9.3724 10.9335 4.40288 9.18139 11.9149 numMergedOcc 0
17 mol 130 unq 0 iso 0 dist 6.54338 8.67153 7.89412 5.84182 7.9663 10.3699 numMergedOcc 0
18 mol 130 unq 1 iso 0 dist 6.54338 8.67153 7.89412 8.39466 7.47653 8.98551 numMergedOcc 0
19 mol 130 unq 2 iso 0 dist 9.39135 8.67153 5.1247 8.39466 8.97124 8.98551 numMergedOcc 0
20 mol 130 unq 3 iso 0 dist 7.47653 8.98551 7.89412 13.2888 7.9663 10.3699 numMergedOcc 0
21 mol 130 unq 4 iso 0 dist 7.47653 8.98551 7.89412 8.39466 6.54338 8.67153 numMergedOcc 0
22 mol 130 unq 5 iso 0 dist 8.97124 8.98551 5.1247 8.39466 9.39135 8.67153 numMergedOcc 0
23 mol 133 unq 0 iso 0 dist 7.96689 9.17877 13.5727 5.13345 9.6582 10.1956 numMergedOcc 0
24 mol 133 unq 1 iso 0 dist 4.83134 9.17877 5.6216 5.13345 5.17734 10.1956 numMergedOcc 0
25 mol 189 unq 0 iso 0 dist 7.04604 4.96433 5.87044 8.91303 5.11059 9.69971 numMergedOcc 0
26 mol 194 unq 0 iso 0 dist 5.69763 6.8093 5.06149 10.7204 8.82165 12.0619 numMergedOcc 0
27 mol 194 unq 1 iso 0 dist 8.82165 8.40972 10.0346 10.7204 5.69763 14.4326 numMergedOcc 0
28 mol 219 unq 0 iso 0 dist 4.67452 9.38761 9.78352 8.93116 9.86916 17.4572 numMergedOcc 0
29 mol 254 unq 0 iso 0 dist 6.76462 9.84153 12.9504 13.1599 9.36171 20.3836 numMergedOcc 0
30 mol 254 unq 1 iso 0 dist 6.76462 9.84153 12.9504 5.13266 9.75152 11.4411 numMergedOcc 0
31 mol 254 unq 2 iso 0 dist 6.76462 9.84153 12.9504 5.55394 9.03739 11.6064 numMergedOcc 0
32 mol 254 unq 3 iso 0 dist 6.76462 9.84153 12.9504 12.6531 7.53352 14.891 numMergedOcc 0
33 mol 266 unq 0 iso 0 dist 8.42706 5.45375 10.3992 6.70676 6.58277 10.519 numMergedOcc 0
34 mol 266 unq 1 iso 0 dist 8.42706 5.45375 10.3992 16.4476 8.12204 18.1996 numMergedOcc 0
35 mol 266 unq 2 iso 0 dist 8.42706 9.9145 15.5784 6.70676 6.58277 13.2985 numMergedOcc 0
36 mol 266 unq 3 iso 0 dist 8.42706 9.9145 15.5784 16.4476 8.12204 23.2978 numMergedOcc 0
37 mol 279 unq 0 iso 0 dist 6.12742 5.81721 5.4527 6.22487 5.78017 9.85477 numMergedOcc 0
38 mol 293 unq 0 iso 0 dist 8.8788 5.50284 7.15032 6.3489 8.42712 10.0258 numMergedOcc 0
39 mol 293 unq 1 iso 0 dist 8.8788 8.88355 4.91842 6.3489 8.42712 10.4394 numMergedOcc 0
40 mol 294 unq 0 iso 0 dist 8.60441 8.73893 7.47947 9.4329 5.76337 11.7486 numMergedOcc 0
41 mol 294 unq 1 iso 0 dist 6.97558 8.73893 5.08713 9.4329 9.39625 11.7486 numMergedOcc 0
