0 mol 15 unq 0 iso 0 dist 9.70735 9.40358 9.97507 9.5538 7.12903 5.90976 15.9729 12.1303 7.48342 10.0974 numMergedOcc 0
1 mol 25 unq 0 iso 0 dist 6.23095 11.5983 6.03987 7.40735 7.685 10.3635 11.0789 5.68392 6.85556 9.71382 numMergedOcc 0
2 mol 61 unq 0 iso 0 dist 9.70415 5.46309 6.65721 10.4362 8.76003 5.83489 5.67362 13.5488 9.25641 14.7343 numMergedOcc 0
3 mol 72 unq 0 iso 0 dist 6.7212 11.6369 9.96708 5.00053 7.321 9.0131 16.4419 11.6378 9.27838 13.1462 numMergedOcc 0
4 mol 73 unq 0 iso 0 dist 8.124 13.4367 6.19304 10.0721 4.65521 7.41074 13.2119 6.56633 9.24757 7.10439 numMergedOcc 0
5 mol 85 unq 0 iso 0 dist 6.56728 11.609 7.47541 8.46482 7.22293 7.98917 17.8623 13.5116 9.82915 10.0297 numMergedOcc 0
6 mol 85 unq 1 iso 0 dist 6.56728 13.5384 7.66905 8.46482 7.22293 11.6116 9.51674 4.65335 7.54568 11.8261 numMergedOcc 0
7 mol 85 unq 2 iso 0 dist 6.56728 5.29763 5.73196 8.46482 7.22293 6.47779 9.51674 4.65335 9.39864 11.8261 numMergedOcc 0
8 mol 100 unq 0 iso 0 dist 8.92577 12.0555 7.47343 7.38658 8.72704 10.1589 15.5006 12.2861 8.30845 9.44658 numMergedOcc 0
9 mol 100 unq 1 iso 0 dist 8.92577 12.0555 7.47343 7.38658 8.72704 10.1589 20.027 15.5385 8.76378 18.5425 numMergedOcc 0
10 mol 100 unq 2 iso 0 dist 9.56324 16.8752 7.47343 15.7025 8.72704 10.1589 21.1917 12.2861 8.30845 9.44658 numMergedOcc 0
11 mol 100 unq 3 iso 0 dist 9.56324 16.8752 7.47343 15.7025 8.72704 10.1589 24.0706 15.5385 8.76378 18.5425 numMergedOcc 0
12 mol 100 unq 4 iso 0 dist 5.70279 5.92158 7.47343 11.8754 7.75343 15.209 12.1601 11.2312 7.38135 18.081 numMergedOcc 0
13 mol 102 unq 0 iso 0 dist 9.84673 5.09542 7.36792 7.6114 9.94856 5.498 11.4976 7.42011 8.31932 13.2332 numMergedOcc 0
14 mol 119 unq 0 iso 0 dist 8.88255 10.5726 8.73993 10.06 9.63176 10.6679 14.0057 7.20179 6.52773 11.8717 numMergedOcc 0
15 mol 119 unq 1 iso 0 dist 8.88255 10.5726 8.73993 10.06 9.63176 10.6679 8.61574 9.89358 9.23858 15.8603 numMergedOcc 0
16 mol 131 unq 0 iso 0 dist 8.99949 11.3502 6.85062 9.45501 6.91348 6.19596 20.1653 13.7237 9.90168 11.4282 numMergedOcc 0
17 mol 131 unq 1 iso 0 dist 8.99949 11.3502 6.85062 9.03202 9.51418 6.6499 20.1653 13.7237 9.90168 16.3398 numMergedOcc 0
18 mol 134 unq 0 iso 0 dist 7.27598 6.50005 6.37586 7.26771 5.42582 5.41704 9.95528 5.29786 6.23142 8.73604 numMergedOcc 0
19 mol 134 unq 1 iso 0 dist 7.27598 12.0971 9.71307 7.26771 5.42582 6.17103 9.95528 5.29786 9.94764 8.73604 numMergedOcc 0
20 mol 134 unq 2 iso 0 dist 5.57904 7.41837 6.54501 7.26771 8.6355 10.1448 9.95528 5.71679 7.69991 8.73604 numMergedOcc 0
21 mol 134 unq 3 iso 0 dist 5.57904 6.50005 6.49416 7.26771 8.6355 5.41704 9.95528 5.71679 6.23142 8.73604 numMergedOcc 0
22 mol 156 unq 0 iso 0 dist 9.19499 5.66289 7.44554 11.9162 9.36805 6.29785 10.6749 5.71511 9.4013 10.735 numMergedOcc 0
23 mol 156 unq 1 iso 0 dist 7.98018 4.68187 9.83699 4.71629 7.55203 6.29785 9.82618 5.80008 9.4013 10.735 numMergedOcc 0
24 mol 220 unq 0 iso 0 dist 6.21273 5.1021 9.23153 5.33649 6.84247 6.7067 7.58118 7.11498 6.59716 9.7334 numMergedOcc 0
25 mol 220 unq 1 iso 0 dist 6.21273 5.1021 9.23153 12.5011 6.99002 15.9568 7.58118 7.11498 6.59716 13.5801 numMergedOcc 0
26 mol 222 unq 0 iso 0 dist 8.5834 5.01062 7.54212 4.78647 7.18956 7.61682 13.4892 13.3447 9.07471 16.4961 numMergedOcc 0
27 mol 227 unq 0 iso 0 dist 9.60159 7.51316 7.22101 7.35206 8.17891 6.43754 11.9075 6.35849 7.43071 12.2922 numMergedOcc 0
28 mol 227 unq 1 iso 0 dist 9.60159 7.51316 7.22101 7.35206 8.17891 6.43754 11.7218 10.9607 5.41321 7.57454 numMergedOcc 0
29 mol 227 unq 2 iso 0 dist 9.60159 6.38287 7.09863 7.35206 8.17891 9.13836 11.9075 6.35849 6.02296 12.2922 numMergedOcc 0
30 mol 227 unq 3 iso 0 dist 7.71761 5.841 7.55216 10.1071 8.83563 11.662 11.6367 9.32448 7.43071 10.4957 numMergedOcc 0
31 mol 227 unq 4 iso 0 dist 7.71761 5.841 7.55216 10.1071 8.83563 11.662 6.65275 6.48027 5.41321 13.792 numMergedOcc 0
