0 mol 1 unq 0 iso 0 dist 6.2936 7.69087 7.46399 10.7639 7.83632 9.72712 numMergedOcc 0
1 mol 25 unq 0 iso 0 dist 8.61491 4.4907 6.69002 12.9168 9.62401 12.7461 numMergedOcc 0
2 mol 27 unq 0 iso 0 dist 7.96312 5.24778 7.18409 15.4799 7.60283 14.335 numMergedOcc 0
3 mol 27 unq 1 iso 0 dist 7.96312 12.0951 6.21163 15.4799 7.60283 8.38749 numMergedOcc 0
4 mol 27 unq 2 iso 0 dist 7.67129 7.83976 7.18409 14.1714 7.60283 14.335 numMergedOcc 0
5 mol 27 unq 3 iso 0 dist 7.67129 12.7455 6.21163 14.1714 7.60283 8.38749 numMergedOcc 0
6 mol 45 unq 0 iso 0 dist 4.5673 4.44247 7.97558 11.1279 9.62637 12.0234 numMergedOcc 0
7 mol 45 unq 1 iso 0 dist 4.5673 4.44247 7.97558 5.59308 6.01423 6.72134 numMergedOcc 0
8 mol 67 unq 0 iso 0 dist 6.07108 7.28199 6.58279 12.2982 9.0008 5.52457 numMergedOcc 0
9 mol 67 unq 1 iso 0 dist 6.07108 7.28199 6.58279 8.55107 9.77887 5.42811 numMergedOcc 0
10 mol 67 unq 2 iso 0 dist 5.63802 10.2575 6.58279 13.1761 9.0008 5.52457 numMergedOcc 0
11 mol 67 unq 3 iso 0 dist 5.63802 10.2575 6.58279 10.6102 9.77887 5.42811 numMergedOcc 0
12 mol 73 unq 0 iso 0 dist 6.66506 8.49428 6.91141 13.1044 7.10439 11.5311 numMergedOcc 0
13 mol 85 unq 0 iso 0 dist 9.18097 14.4152 5.79841 12.8729 6.05495 5.71795 numMergedOcc 0
14 mol 85 unq 1 iso 0 dist 8.83135 6.87788 5.79841 3.97167 6.05495 5.71795 numMergedOcc 0
15 mol 92 unq 0 iso 0 dist 7.31426 7.30364 7.2131 9.81259 7.1539 5.02124 numMergedOcc 0
16 mol 92 unq 1 iso 0 dist 6.15654 10.9929 7.44343 6.3678 6.72712 6.12826 numMergedOcc 0
17 mol 92 unq 2 iso 0 dist 6.15654 10.9929 7.44343 7.31722 5.39745 5.02124 numMergedOcc 0
18 mol 103 unq 0 iso 0 dist 9.6403 9.44733 9.5002 5.54803 9.07734 4.95298 numMergedOcc 0
19 mol 114 unq 0 iso 0 dist 4.86767 3.97585 7.78223 10.8755 9.83981 12.097 numMergedOcc 0
20 mol 114 unq 1 iso 0 dist 4.86767 3.97585 7.78223 5.27861 6.13559 6.64548 numMergedOcc 0
21 mol 114 unq 2 iso 0 dist 4.86767 3.97585 7.78223 4.8628 6.51395 8.59522 numMergedOcc 0
22 mol 116 unq 0 iso 0 dist 8.03113 4.44169 6.63731 8.2258 7.35992 5.47265 numMergedOcc 0
23 mol 116 unq 1 iso 0 dist 8.03113 4.44169 6.63731 11.1305 6.49383 7.15601 numMergedOcc 0
24 mol 116 unq 2 iso 0 dist 9.2638 13.3535 6.63731 10.3223 7.35992 5.47265 numMergedOcc 0
25 mol 116 unq 3 iso 0 dist 9.2638 13.3535 6.63731 12.8624 6.49383 7.15601 numMergedOcc 0
26 mol 148 unq 0 iso 0 dist 9.77704 6.51997 7.32163 5.85057 8.28564 5.58057 numMergedOcc 0
27 mol 253 unq 0 iso 0 dist 9.29788 8.79627 9.6479 15.6651 9.58354 15.4561 numMergedOcc 0
28 mol 253 unq 1 iso 0 dist 9.50983 5.05272 9.6479 14.0411 9.58354 15.4561 numMergedOcc 0
29 mol 266 unq 0 iso 0 dist 6.77259 8.9894 9.85331 5.18289 9.71152 6.47152 numMergedOcc 0
30 mol 279 unq 0 iso 0 dist 7.66302 8.76427 8.16582 13.6577 9.24367 7.28266 numMergedOcc 0
31 mol 292 unq 0 iso 0 dist 8.67838 6.27756 9.46421 9.01459 5.7131 5.737 numMergedOcc 0
32 mol 294 unq 0 iso 0 dist 7.14502 12.6882 9.7659 6.34998 7.36811 7.79284 numMergedOcc 0
33 mol 294 unq 1 iso 0 dist 7.14502 9.06411 6.1268 6.34998 7.36811 7.94082 numMergedOcc 0
