0 mol 18 unq 0 iso 0 dist 8.52106 11.5747 9.35863 14.2114 9.4067 8.11835 numMergedOcc 0
1 mol 18 unq 1 iso 0 dist 6.32451 6.96996 9.35863 11.6363 9.4067 8.11835 numMergedOcc 0
2 mol 20 unq 0 iso 0 dist 6.4934 5.48225 5.9809 10.3469 4.49303 7.99756 numMergedOcc 0
3 mol 20 unq 1 iso 0 dist 6.4934 9.03258 5.83917 10.3469 4.49303 4.36087 numMergedOcc 0
4 mol 20 unq 2 iso 0 dist 6.4934 9.03258 5.83917 12.3534 6.00525 7.09639 numMergedOcc 0
5 mol 20 unq 3 iso 0 dist 6.93199 7.06175 5.9809 6.09002 4.49303 7.99756 numMergedOcc 0
6 mol 20 unq 4 iso 0 dist 6.93199 3.79581 5.83917 6.09002 4.49303 4.36087 numMergedOcc 0
7 mol 20 unq 5 iso 0 dist 6.93199 3.79581 5.83917 9.45204 6.00525 7.09639 numMergedOcc 0
8 mol 26 unq 0 iso 0 dist 6.73162 7.11305 9.96121 7.98005 8.62111 8.97754 numMergedOcc 0
9 mol 32 unq 0 iso 0 dist 8.68559 10.7345 7.11053 8.91596 4.84198 8.78511 numMergedOcc 0
10 mol 39 unq 0 iso 0 dist 7.45237 10.2083 7.30265 16.8086 10.7428 9.17793 numMergedOcc 0
11 mol 58 unq 0 iso 0 dist 8.81638 6.07871 8.13051 14.6409 10.5052 9.10675 numMergedOcc 0
12 mol 72 unq 0 iso 0 dist 8.624 3.94376 5.4605 12.0749 9.32129 8.80645 numMergedOcc 0
13 mol 72 unq 1 iso 0 dist 8.624 6.19288 6.53824 12.0749 9.32129 8.39955 numMergedOcc 0
14 mol 72 unq 2 iso 0 dist 6.77912 5.69391 5.4605 12.0815 9.32129 8.80645 numMergedOcc 0
15 mol 72 unq 3 iso 0 dist 6.77912 4.03844 6.53824 12.0815 9.32129 8.39955 numMergedOcc 0
16 mol 113 unq 0 iso 0 dist 6.81812 8.50705 5.29949 11.2964 5.46299 9.60127 numMergedOcc 0
17 mol 119 unq 0 iso 0 dist 7.39889 6.30721 6.55202 4.80684 3.71283 4.55071 numMergedOcc 0
18 mol 119 unq 1 iso 0 dist 9.63176 6.9194 6.55202 10.1864 3.71283 4.55071 numMergedOcc 0
19 mol 119 unq 2 iso 0 dist 7.44174 12.4621 6.55202 10.3523 3.71283 4.55071 numMergedOcc 0
20 mol 194 unq 0 iso 0 dist 5.48258 5.97754 6.11135 10.6393 8.27947 6.68939 numMergedOcc 0
21 mol 194 unq 1 iso 0 dist 6.15769 5.97754 6.54481 10.6393 7.01398 6.68939 numMergedOcc 0
22 mol 218 unq 0 iso 0 dist 9.50586 13.7327 9.59426 16.2734 8.49357 6.17843 numMergedOcc 0
23 mol 218 unq 1 iso 0 dist 9.50586 13.7327 9.59426 20.4773 13.6717 8.52772 numMergedOcc 0
24 mol 218 unq 2 iso 0 dist 7.17547 15.6802 8.61306 15.7206 9.62853 6.17843 numMergedOcc 0
25 mol 218 unq 3 iso 0 dist 7.17547 15.6802 8.61306 19.4131 13.697 8.52772 numMergedOcc 0
26 mol 218 unq 4 iso 0 dist 7.13323 13.7327 8.61306 16.2734 9.62853 6.17843 numMergedOcc 0
27 mol 218 unq 5 iso 0 dist 7.13323 13.7327 8.61306 20.4773 13.697 8.52772 numMergedOcc 0
28 mol 228 unq 0 iso 0 dist 8.06181 9.3302 7.84881 9.25785 3.65229 8.92379 numMergedOcc 0
29 mol 228 unq 1 iso 0 dist 8.38048 6.49596 7.84881 10.7845 3.65229 8.92379 numMergedOcc 0
30 mol 228 unq 2 iso 0 dist 7.65132 6.30327 7.84881 10.6117 3.65229 8.92379 numMergedOcc 0
31 mol 228 unq 3 iso 0 dist 8.53764 11.9013 7.84881 11.3092 3.65229 8.92379 numMergedOcc 0
32 mol 228 unq 4 iso 0 dist 7.77367 9.39743 7.86746 9.01231 3.62742 9.06403 numMergedOcc 0
33 mol 228 unq 5 iso 0 dist 8.20909 6.65033 7.86746 10.7241 3.62742 9.06403 numMergedOcc 0
34 mol 228 unq 6 iso 0 dist 7.94506 6.19376 7.86746 10.8727 3.62742 9.06403 numMergedOcc 0
35 mol 228 unq 7 iso 0 dist 8.15494 11.8243 7.86746 10.978 3.62742 9.06403 numMergedOcc 0
36 mol 272 unq 0 iso 0 dist 7.67853 5.12237 8.84523 10.0612 9.97731 5.53492 numMergedOcc 0
