0 mol 1 unq 0 iso 0 dist 9.40282 4.61559 6.4181 6.04659 9.02078 8.40848 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 8.54885 5.08675 6.89136 9.44899 4.87741 5.29367 numMergedOcc 0
2 mol 30 unq 0 iso 0 dist 3.68549 6.21952 6.88974 8.87499 7.19972 8.61226 numMergedOcc 0
3 mol 30 unq 1 iso 0 dist 3.68549 6.21952 6.88974 11.0895 9.3487 6.79739 numMergedOcc 0
4 mol 30 unq 2 iso 0 dist 3.68549 6.21952 6.88974 8.2359 6.67111 5.90481 numMergedOcc 0
5 mol 30 unq 3 iso 0 dist 3.68549 5.06613 5.5814 8.2359 6.67111 6.30807 numMergedOcc 0
6 mol 33 unq 0 iso 0 dist 8.87925 12.3928 7.14232 15.8066 7.85565 8.70164 numMergedOcc 0
7 mol 58 unq 0 iso 0 dist 9.81637 9.37897 6.36193 11.9175 7.71984 5.35101 numMergedOcc 0
8 mol 58 unq 1 iso 0 dist 9.81637 9.37897 6.36193 16.0013 12.5529 8.68381 numMergedOcc 0
9 mol 69 unq 0 iso 0 dist 8.27307 5.10938 5.47319 8.29997 5.08122 7.17678 numMergedOcc 0
10 mol 69 unq 1 iso 0 dist 6.92837 5.10938 9.8809 8.29997 9.69519 7.17678 numMergedOcc 0
11 mol 90 unq 0 iso 0 dist 7.96299 4.5896 7.75811 5.89962 4.53359 4.90079 numMergedOcc 0
12 mol 110 unq 0 iso 0 dist 8.60857 6.89612 8.181 9.20645 4.37283 5.36955 numMergedOcc 0
13 mol 110 unq 1 iso 0 dist 7.77678 4.9839 9.73174 7.36326 5.33778 8.36172 numMergedOcc 0
14 mol 110 unq 2 iso 0 dist 7.77678 4.36119 9.65418 7.34054 4.60073 9.95088 numMergedOcc 0
15 mol 128 unq 0 iso 0 dist 8.3127 3.56535 8.01677 11.0096 8.67813 8.98367 numMergedOcc 0
16 mol 133 unq 0 iso 0 dist 9.94179 11.088 9.3894 13.6997 4.32516 9.86691 numMergedOcc 0
17 mol 133 unq 1 iso 0 dist 8.66715 13.3005 9.50322 9.94882 8.76089 5.7232 numMergedOcc 0
18 mol 133 unq 2 iso 0 dist 9.00172 13.3005 5.82404 9.94882 6.80087 5.7232 numMergedOcc 0
19 mol 133 unq 3 iso 0 dist 8.95433 15.4773 9.50322 17.0842 8.76089 5.7232 numMergedOcc 0
20 mol 186 unq 0 iso 0 dist 9.52413 16.5529 8.03995 15.1174 7.37734 4.85577 numMergedOcc 0
21 mol 186 unq 1 iso 0 dist 9.52413 16.5529 8.03995 21.3706 14.1208 9.44772 numMergedOcc 0
22 mol 186 unq 2 iso 0 dist 6.0639 4.40927 7.80299 7.73733 7.03438 8.6011 numMergedOcc 0
23 mol 196 unq 0 iso 0 dist 9.36732 5.01554 8.79558 11.3034 8.07956 8.78916 numMergedOcc 0
24 mol 196 unq 1 iso 0 dist 9.79271 9.31621 9.99314 12.2383 7.23208 5.76319 numMergedOcc 0
25 mol 196 unq 2 iso 0 dist 9.79271 9.31621 9.99314 13.8485 11.373 5.30132 numMergedOcc 0
26 mol 196 unq 3 iso 0 dist 9.79271 9.31621 9.99314 10.7584 4.76275 8.36119 numMergedOcc 0
27 mol 226 unq 0 iso 0 dist 9.86096 7.25159 7.117 14.2156 12.195 7.9801 numMergedOcc 0
28 mol 235 unq 0 iso 0 dist 7.8128 4.27313 7.08539 13.4602 9.77128 9.61454 numMergedOcc 0
29 mol 236 unq 0 iso 0 dist 8.95071 9.48296 5.66569 10.7065 5.03598 4.43243 numMergedOcc 0
30 mol 236 unq 1 iso 0 dist 8.95071 5.05085 6.11137 10.7065 5.03598 5.92025 numMergedOcc 0
31 mol 236 unq 2 iso 0 dist 7.49412 10.8749 7.89744 11.7213 5.6375 5.92025 numMergedOcc 0
32 mol 236 unq 3 iso 0 dist 7.49412 7.38199 8.6417 11.7213 5.6375 9.04819 numMergedOcc 0
33 mol 241 unq 0 iso 0 dist 8.23536 9.23513 9.10633 13.2013 10.2076 7.79013 numMergedOcc 0
34 mol 241 unq 1 iso 0 dist 8.23536 9.23513 9.10633 15.1815 10.1832 9.33399 numMergedOcc 0
35 mol 241 unq 2 iso 0 dist 6.90245 3.92006 9.10633 4.80928 10.2076 7.79013 numMergedOcc 0
36 mol 241 unq 3 iso 0 dist 6.90245 3.92006 9.10633 9.92576 10.1832 9.33399 numMergedOcc 0
37 mol 265 unq 0 iso 0 dist 8.49415 8.73438 9.772 5.67503 4.75685 8.09021 numMergedOcc 0
38 mol 265 unq 1 iso 0 dist 8.49415 8.73438 9.772 8.35562 11.5105 6.98451 numMergedOcc 0
39 mol 277 unq 0 iso 0 dist 7.151 7.47195 8.51931 11.6602 5.07427 9.84936 numMergedOcc 0
40 mol 277 unq 1 iso 0 dist 8.53324 7.47195 8.96343 11.6602 10.2752 9.84936 numMergedOcc 0
41 mol 277 unq 2 iso 0 dist 8.33977 5.65499 8.51931 6.87362 5.07427 9.84936 numMergedOcc 0
42 mol 277 unq 3 iso 0 dist 8.66941 5.65499 8.96343 6.87362 10.2752 9.84936 numMergedOcc 0
