0 mol 1 unq 0 iso 0 dist 8.40848 8.7275 5.06184 9.02078 6.4181 6.86701 numMergedOcc 0
1 mol 30 unq 0 iso 0 dist 8.61226 9.03928 5.34619 7.19972 6.88974 10.1227 numMergedOcc 0
2 mol 30 unq 1 iso 0 dist 6.79739 8.93805 4.61651 9.3487 6.88974 10.9602 numMergedOcc 0
3 mol 30 unq 2 iso 0 dist 5.90481 9.83449 4.61651 6.67111 6.88974 10.9602 numMergedOcc 0
4 mol 30 unq 3 iso 0 dist 6.30807 9.83449 12.0998 6.67111 5.5814 10.9602 numMergedOcc 0
5 mol 38 unq 0 iso 0 dist 9.49676 6.12374 5.96514 6.12182 5.73067 7.26639 numMergedOcc 0
6 mol 58 unq 0 iso 0 dist 5.35101 9.1791 7.4999 7.71984 6.36193 13.813 numMergedOcc 0
7 mol 58 unq 1 iso 0 dist 5.35101 9.1791 7.4999 4.67517 4.88613 11.2189 numMergedOcc 0
8 mol 58 unq 2 iso 0 dist 5.35101 6.86485 4.99692 7.71984 6.36193 9.22598 numMergedOcc 0
9 mol 58 unq 3 iso 0 dist 5.35101 6.86485 4.99692 4.67517 4.88613 8.96727 numMergedOcc 0
10 mol 58 unq 4 iso 0 dist 5.35101 8.37546 3.70586 7.71984 6.36193 9.55996 numMergedOcc 0
11 mol 58 unq 5 iso 0 dist 5.35101 8.37546 3.70586 4.67517 4.88613 8.01308 numMergedOcc 0
12 mol 58 unq 6 iso 0 dist 8.68381 8.26586 7.4999 12.5529 6.36193 13.813 numMergedOcc 0
13 mol 58 unq 7 iso 0 dist 8.68381 8.26586 7.4999 8.47822 4.88613 11.2189 numMergedOcc 0
14 mol 58 unq 8 iso 0 dist 8.68381 9.76234 4.99692 12.5529 6.36193 9.22598 numMergedOcc 0
15 mol 58 unq 9 iso 0 dist 8.68381 9.76234 4.99692 8.47822 4.88613 8.96727 numMergedOcc 0
16 mol 67 unq 0 iso 0 dist 5.16558 6.89527 3.77705 6.27668 9.46247 8.3733 numMergedOcc 0
17 mol 69 unq 0 iso 0 dist 7.17678 9.18161 4.69809 5.08122 5.47319 5.99857 numMergedOcc 0
18 mol 69 unq 1 iso 0 dist 7.17678 9.18161 4.69809 9.69519 9.8809 6.9362 numMergedOcc 0
19 mol 91 unq 0 iso 0 dist 7.62621 6.64714 6.44712 14.5145 8.86252 14.2504 numMergedOcc 0
20 mol 103 unq 0 iso 0 dist 6.79564 6.6142 3.86836 6.2092 4.99966 8.11052 numMergedOcc 0
21 mol 115 unq 0 iso 0 dist 8.21127 6.17349 5.33827 6.86762 5.02717 7.69765 numMergedOcc 0
22 mol 115 unq 1 iso 0 dist 8.21127 9.21978 12.6105 6.86762 5.02717 9.42082 numMergedOcc 0
23 mol 115 unq 2 iso 0 dist 7.99121 9.26505 12.8905 6.8104 4.98864 10.0255 numMergedOcc 0
24 mol 115 unq 3 iso 0 dist 6.30982 9.26505 11.7277 6.8104 7.95871 10.0255 numMergedOcc 0
25 mol 115 unq 4 iso 0 dist 6.30982 9.26505 11.7277 5.79342 9.80286 11.8574 numMergedOcc 0
26 mol 115 unq 5 iso 0 dist 6.12404 9.26505 8.29196 5.79342 6.48328 11.8574 numMergedOcc 0
27 mol 133 unq 0 iso 0 dist 5.7232 7.33743 11.5628 8.76089 9.50322 12.5855 numMergedOcc 0
28 mol 133 unq 1 iso 0 dist 5.7232 7.33743 11.5628 6.80087 5.82404 8.77023 numMergedOcc 0
29 mol 173 unq 0 iso 0 dist 7.76856 5.82174 9.35913 11.3653 8.1088 15.2664 numMergedOcc 0
30 mol 186 unq 0 iso 0 dist 4.85577 7.81696 3.85767 7.37734 8.03995 7.85184 numMergedOcc 0
31 mol 235 unq 0 iso 0 dist 9.61454 9.42801 4.46929 9.77128 7.08539 11.0129 numMergedOcc 0
32 mol 241 unq 0 iso 0 dist 7.79013 6.2767 7.9986 10.2076 9.10633 14.8735 numMergedOcc 0
33 mol 266 unq 0 iso 0 dist 6.86805 9.1946 8.9784 4.97892 8.59986 12.0634 numMergedOcc 0
34 mol 292 unq 0 iso 0 dist 5.76223 9.18386 11.4255 6.62955 9.64124 15.3341 numMergedOcc 0
35 mol 292 unq 1 iso 0 dist 5.76223 9.18386 11.4255 9.5588 9.30668 17.9019 numMergedOcc 0
