0 mol 15 unq 0 iso 0 dist 9.70735 9.40358 9.97507 4.90888 6.82505 5.17568 5.9024 8.28153 6.49982 3.78082 numMergedOcc 0
1 mol 15 unq 0 iso 1 dist 9.70735 4.90888 6.82505 9.40358 9.97507 5.17568 5.9024 8.28153 3.78082 6.49982 numMergedOcc 0
2 mol 25 unq 0 iso 0 dist 6.23095 10.747 7.31767 11.5983 6.03987 4.51512 5.24477 7.03372 7.23535 9.92243 numMergedOcc 0
3 mol 25 unq 0 iso 1 dist 6.23095 11.5983 6.03987 10.747 7.31767 4.51512 5.24477 7.03372 9.92243 7.23535 numMergedOcc 0
4 mol 52 unq 0 iso 0 dist 5.26018 12.8491 9.80098 10.3287 7.34143 9.162 5.02333 6.22221 8.88455 9.53385 numMergedOcc 0
5 mol 52 unq 0 iso 1 dist 5.26018 10.3287 7.34143 12.8491 9.80098 9.162 5.02333 6.22221 9.53385 8.88455 numMergedOcc 0
6 mol 52 unq 1 iso 0 dist 7.1203 5.92851 9.80098 6.03647 7.34143 9.162 10.0938 6.22221 8.88455 9.53385 numMergedOcc 0
7 mol 52 unq 1 iso 1 dist 7.1203 6.03647 7.34143 5.92851 9.80098 9.162 10.0938 6.22221 9.53385 8.88455 numMergedOcc 0
8 mol 72 unq 0 iso 0 dist 6.68311 8.1124 8.8178 15.0607 9.96708 10.7394 4.61081 4.86198 5.21565 10.7434 numMergedOcc 0
9 mol 72 unq 0 iso 1 dist 6.68311 15.0607 9.96708 8.1124 8.8178 10.7394 4.61081 4.86198 10.7434 5.21565 numMergedOcc 0
10 mol 98 unq 0 iso 0 dist 8.05602 12.0507 5.08437 4.72129 6.48948 9.51923 12.6133 7.92856 8.29813 13.2057 numMergedOcc 0
11 mol 98 unq 0 iso 1 dist 8.05602 4.72129 6.48948 12.0507 5.08437 9.51923 12.6133 7.92856 13.2057 8.29813 numMergedOcc 0
12 mol 98 unq 1 iso 0 dist 8.05602 12.0507 5.08437 12.0339 6.10456 8.40073 12.6133 7.92856 8.29813 12.7473 numMergedOcc 0
13 mol 98 unq 1 iso 1 dist 8.05602 12.0339 6.10456 12.0507 5.08437 8.40073 12.6133 7.92856 12.7473 8.29813 numMergedOcc 0
14 mol 98 unq 1 iso 0 dist 8.05602 4.72129 6.48948 12.0339 6.10456 9.42358 12.6133 7.92856 13.2057 12.7473 numMergedOcc 0
15 mol 98 unq 1 iso 1 dist 8.05602 12.0339 6.10456 4.72129 6.48948 9.42358 12.6133 7.92856 12.7473 13.2057 numMergedOcc 0
16 mol 115 unq 0 iso 0 dist 8.46684 5.14332 6.90986 5.28643 5.39945 5.67807 8.51521 5.93278 6.34182 3.98154 numMergedOcc 0
17 mol 115 unq 0 iso 1 dist 8.46684 5.28643 5.39945 5.14332 6.90986 5.67807 8.51521 5.93278 3.98154 6.34182 numMergedOcc 0
18 mol 115 unq 1 iso 0 dist 8.46684 5.14332 6.90986 5.28643 5.39945 5.67807 11.3635 6.19918 8.66957 6.61688 numMergedOcc 0
19 mol 115 unq 1 iso 1 dist 8.46684 5.28643 5.39945 5.14332 6.90986 5.67807 11.3635 6.19918 6.61688 8.66957 numMergedOcc 0
20 mol 142 unq 0 iso 0 dist 7.15087 8.68855 9.2313 5.50176 5.31024 5.32922 5.19808 8.04118 4.05822 4.7832 numMergedOcc 0
21 mol 142 unq 0 iso 1 dist 7.15087 5.50176 5.31024 8.68855 9.2313 5.32922 5.19808 8.04118 4.7832 4.05822 numMergedOcc 0
22 mol 222 unq 0 iso 0 dist 5.47561 10.6375 8.01589 5.39098 7.7699 10.4579 9.2281 5.1609 6.91863 8.26703 numMergedOcc 0
23 mol 222 unq 0 iso 1 dist 5.47561 5.39098 7.7699 10.6375 8.01589 10.4579 9.2281 5.1609 8.26703 6.91863 numMergedOcc 0
24 mol 222 unq 1 iso 0 dist 5.47561 10.6375 8.01589 5.60111 7.21333 13.3522 9.2281 5.1609 6.91863 8.89157 numMergedOcc 0
25 mol 222 unq 1 iso 1 dist 5.47561 5.60111 7.21333 10.6375 8.01589 13.3522 9.2281 5.1609 8.89157 6.91863 numMergedOcc 0
26 mol 222 unq 1 iso 0 dist 5.47561 5.39098 7.7699 5.60111 7.21333 5.24516 9.2281 5.1609 8.26703 8.89157 numMergedOcc 0
27 mol 222 unq 1 iso 1 dist 5.47561 5.60111 7.21333 5.39098 7.7699 5.24516 9.2281 5.1609 8.89157 8.26703 numMergedOcc 0
28 mol 253 unq 0 iso 0 dist 7.26981 9.23512 7.32223 10.8952 8.31064 7.25988 13.6897 9.19385 5.85692 6.0222 numMergedOcc 0
29 mol 253 unq 0 iso 1 dist 7.26981 10.8952 8.31064 9.23512 7.32223 7.25988 13.6897 9.19385 6.0222 5.85692 numMergedOcc 0
30 mol 253 unq 1 iso 0 dist 7.26981 9.23512 7.32223 10.8952 8.31064 7.25988 5.17707 7.14243 9.00842 6.93212 numMergedOcc 0
31 mol 253 unq 1 iso 1 dist 7.26981 10.8952 8.31064 9.23512 7.32223 7.25988 5.17707 7.14243 6.93212 9.00842 numMergedOcc 0
32 mol 253 unq 2 iso 0 dist 7.26981 9.23512 7.32223 10.8952 8.31064 7.25988 6.10294 5.77511 11.5574 10.2118 numMergedOcc 0
33 mol 253 unq 2 iso 1 dist 7.26981 10.8952 8.31064 9.23512 7.32223 7.25988 6.10294 5.77511 10.2118 11.5574 numMergedOcc 0
34 mol 253 unq 3 iso 0 dist 7.26981 9.23512 7.32223 10.8952 8.31064 7.25988 5.04216 7.81382 12.8384 12.4811 numMergedOcc 0
35 mol 253 unq 3 iso 1 dist 7.26981 10.8952 8.31064 9.23512 7.32223 7.25988 5.04216 7.81382 12.4811 12.8384 numMergedOcc 0
36 mol 253 unq 4 iso 0 dist 9.02643 12.3948 7.32223 8.25257 8.31064 7.25988 13.5912 9.19385 5.85692 6.0222 numMergedOcc 0
37 mol 253 unq 4 iso 1 dist 9.02643 8.25257 8.31064 12.3948 7.32223 7.25988 13.5912 9.19385 6.0222 5.85692 numMergedOcc 0
38 mol 253 unq 5 iso 0 dist 9.02643 12.3948 7.32223 8.25257 8.31064 7.25988 3.99655 7.14243 9.00842 6.93212 numMergedOcc 0
39 mol 253 unq 5 iso 1 dist 9.02643 8.25257 8.31064 12.3948 7.32223 7.25988 3.99655 7.14243 6.93212 9.00842 numMergedOcc 0
40 mol 253 unq 6 iso 0 dist 9.02643 12.3948 7.32223 8.25257 8.31064 7.25988 5.37143 5.77511 11.5574 10.2118 numMergedOcc 0
41 mol 253 unq 6 iso 1 dist 9.02643 8.25257 8.31064 12.3948 7.32223 7.25988 5.37143 5.77511 10.2118 11.5574 numMergedOcc 0
42 mol 253 unq 7 iso 0 dist 9.02643 12.3948 7.32223 8.25257 8.31064 7.25988 6.92436 7.81382 12.8384 12.4811 numMergedOcc 0
43 mol 253 unq 7 iso 1 dist 9.02643 8.25257 8.31064 12.3948 7.32223 7.25988 6.92436 7.81382 12.4811 12.8384 numMergedOcc 0
44 mol 280 unq 0 iso 0 dist 8.80588 8.30978 6.53701 5.80223 6.0664 5.51836 9.17893 6.01897 6.87492 3.51781 numMergedOcc 0
45 mol 280 unq 0 iso 1 dist 8.80588 5.80223 6.0664 8.30978 6.53701 5.51836 9.17893 6.01897 3.51781 6.87492 numMergedOcc 0
