0 mol 14 unq 0 iso 0 dist 7.54797 8.73627 7.00835 8.69369 5.86601 5.38909 numMergedOcc 0
1 mol 14 unq 0 iso 1 dist 7.54797 8.69369 5.86601 8.73627 7.00835 5.38909 numMergedOcc 0
2 mol 98 unq 0 iso 0 dist 7.59354 9.59261 6.83826 6.67936 9.94628 10.6225 numMergedOcc 0
3 mol 98 unq 0 iso 1 dist 7.59354 6.67936 9.94628 9.59261 6.83826 10.6225 numMergedOcc 0
4 mol 98 unq 1 iso 0 dist 7.59354 9.59261 6.83826 8.25817 7.53156 12.7411 numMergedOcc 0
5 mol 98 unq 1 iso 1 dist 7.59354 8.25817 7.53156 9.59261 6.83826 12.7411 numMergedOcc 0
6 mol 98 unq 1 iso 0 dist 7.59354 6.67936 9.94628 8.25817 7.53156 7.72877 numMergedOcc 0
7 mol 98 unq 1 iso 1 dist 7.59354 8.25817 7.53156 6.67936 9.94628 7.72877 numMergedOcc 0
8 mol 109 unq 0 iso 0 dist 9.0224 8.21889 10.6667 9.74643 15.1709 7 numMergedOcc 0
9 mol 109 unq 0 iso 1 dist 9.0224 9.74643 15.1709 8.21889 10.6667 7 numMergedOcc 0
10 mol 109 unq 1 iso 0 dist 9.0224 8.21889 10.6667 6.86702 10.3273 8.40993 numMergedOcc 0
11 mol 109 unq 1 iso 1 dist 9.0224 6.86702 10.3273 8.21889 10.6667 8.40993 numMergedOcc 0
12 mol 109 unq 1 iso 0 dist 9.0224 9.74643 15.1709 6.86702 10.3273 6.94915 numMergedOcc 0
13 mol 109 unq 1 iso 1 dist 9.0224 6.86702 10.3273 9.74643 15.1709 6.94915 numMergedOcc 0
14 mol 110 unq 0 iso 0 dist 7.24538 7.21229 12.0587 5.25492 8.6616 4.56913 numMergedOcc 0
15 mol 110 unq 0 iso 1 dist 7.24538 5.25492 8.6616 7.21229 12.0587 4.56913 numMergedOcc 0
16 mol 126 unq 0 iso 0 dist 9.93897 7.11388 5.44525 8.83131 14.2677 9.97817 numMergedOcc 0
17 mol 126 unq 0 iso 1 dist 9.93897 8.83131 14.2677 7.11388 5.44525 9.97817 numMergedOcc 0
18 mol 130 unq 0 iso 0 dist 6.00391 8.54461 9.38606 7.83619 11.8666 8.38345 numMergedOcc 0
19 mol 130 unq 0 iso 1 dist 6.00391 7.83619 11.8666 8.54461 9.38606 8.38345 numMergedOcc 0
20 mol 130 unq 1 iso 0 dist 9.70695 8.54461 6.33857 7.83619 5.15286 8.38345 numMergedOcc 0
21 mol 130 unq 1 iso 1 dist 9.70695 7.83619 5.15286 8.54461 6.33857 8.38345 numMergedOcc 0
22 mol 143 unq 0 iso 0 dist 8.99696 9.61081 15.534 5.46922 13.763 5.72828 numMergedOcc 0
23 mol 143 unq 0 iso 1 dist 8.99696 5.46922 13.763 9.61081 15.534 5.72828 numMergedOcc 0
24 mol 207 unq 0 iso 0 dist 9.09845 8.09522 4.93599 5.08312 9.64674 5.99308 numMergedOcc 0
25 mol 207 unq 0 iso 1 dist 9.09845 5.08312 9.64674 8.09522 4.93599 5.99308 numMergedOcc 0
26 mol 207 unq 1 iso 0 dist 9.50021 8.09522 8.22629 5.08312 10.9115 5.99308 numMergedOcc 0
27 mol 207 unq 1 iso 1 dist 9.50021 5.08312 10.9115 8.09522 8.22629 5.99308 numMergedOcc 0
28 mol 224 unq 0 iso 0 dist 5.90784 9.33771 14.2632 7.39839 13.2364 5.0744 numMergedOcc 0
29 mol 224 unq 0 iso 1 dist 5.90784 7.39839 13.2364 9.33771 14.2632 5.0744 numMergedOcc 0
30 mol 224 unq 1 iso 0 dist 8.50322 9.33771 9.59595 7.39839 9.40389 5.0744 numMergedOcc 0
31 mol 224 unq 1 iso 1 dist 8.50322 7.39839 9.40389 9.33771 9.59595 5.0744 numMergedOcc 0
32 mol 236 unq 0 iso 0 dist 7.34709 8.77254 10.6351 9.96976 12.8976 6.99332 numMergedOcc 0
33 mol 236 unq 0 iso 1 dist 7.34709 9.96976 12.8976 8.77254 10.6351 6.99332 numMergedOcc 0
34 mol 257 unq 0 iso 0 dist 6.75578 4.97263 10.0383 5.36776 5.86413 5.6276 numMergedOcc 0
35 mol 257 unq 0 iso 1 dist 6.75578 5.36776 5.86413 4.97263 10.0383 5.6276 numMergedOcc 0
36 mol 259 unq 0 iso 0 dist 6.13752 6.77279 6.59107 9.58006 11.1778 4.69778 numMergedOcc 0
37 mol 259 unq 0 iso 1 dist 6.13752 9.58006 11.1778 6.77279 6.59107 4.69778 numMergedOcc 0
38 mol 273 unq 0 iso 0 dist 7.97117 8.90885 13.4309 9.96963 11.2887 5.96724 numMergedOcc 0
39 mol 273 unq 0 iso 1 dist 7.97117 9.96963 11.2887 8.90885 13.4309 5.96724 numMergedOcc 0
