0 mol 43 unq 0 iso 0 dist 8.80331 9.89546 14.0634 7.39848 9.86609 4.2509 numMergedOcc 0
1 mol 59 unq 0 iso 0 dist 8.95999 8.0413 6.22569 8.30217 9.65136 4.50866 numMergedOcc 0
2 mol 72 unq 0 iso 0 dist 8.8178 4.69674 5.83438 4.86198 5.21565 3.93249 numMergedOcc 0
3 mol 72 unq 1 iso 0 dist 9.96708 4.69674 11.8198 4.86198 10.7434 3.93249 numMergedOcc 0
4 mol 73 unq 0 iso 0 dist 8.70481 5.62694 10.169 7.37171 15.1432 10.9695 numMergedOcc 0
5 mol 85 unq 0 iso 0 dist 7.95579 8.81824 6.62562 8.04242 5.76272 7.59896 numMergedOcc 0
6 mol 85 unq 1 iso 0 dist 6.19965 8.81824 5.46695 8.04242 8.18948 7.59896 numMergedOcc 0
7 mol 85 unq 2 iso 0 dist 7.66905 8.81824 11.3211 8.04242 14.113 7.59896 numMergedOcc 0
8 mol 95 unq 0 iso 0 dist 7.2658 8.82395 7.85262 6.38004 4.70965 5.08555 numMergedOcc 0
9 mol 113 unq 0 iso 0 dist 5.86073 5.94552 4.38244 7.02367 5.37655 8.9451 numMergedOcc 0
10 mol 113 unq 1 iso 0 dist 5.86073 5.94552 4.38244 9.30832 5.46207 4.43124 numMergedOcc 0
11 mol 120 unq 0 iso 0 dist 6.44653 8.1671 4.98499 7.53694 5.61274 3.47821 numMergedOcc 0
12 mol 120 unq 1 iso 0 dist 6.44653 8.1671 4.98499 8.38358 3.35803 6.10769 numMergedOcc 0
13 mol 127 unq 0 iso 0 dist 8.14887 8.82676 6.3084 5.39356 10.2024 10.7946 numMergedOcc 0
14 mol 127 unq 1 iso 0 dist 8.14887 8.82676 6.3084 9.92746 5.4328 3.52439 numMergedOcc 0
15 mol 127 unq 2 iso 0 dist 9.30299 8.82676 12.4721 5.39356 12.7606 10.7946 numMergedOcc 0
16 mol 127 unq 3 iso 0 dist 9.30299 8.82676 12.4721 9.92746 12.6193 3.52439 numMergedOcc 0
17 mol 132 unq 0 iso 0 dist 7.7059 5.36351 6.6218 5.77186 6.85721 5.86406 numMergedOcc 0
18 mol 175 unq 0 iso 0 dist 9.29945 6.62757 13.4456 9.19156 13.8965 3.46183 numMergedOcc 0
19 mol 175 unq 1 iso 0 dist 9.29945 9.36354 14.5359 9.19156 13.8965 12.5282 numMergedOcc 0
20 mol 206 unq 0 iso 0 dist 8.02137 6.11803 7.25848 6.23183 8.20841 9.90756 numMergedOcc 0
21 mol 206 unq 1 iso 0 dist 7.7366 9.73419 8.77621 4.51255 7.83734 9.90756 numMergedOcc 0
22 mol 206 unq 2 iso 0 dist 7.7366 9.99824 10.2691 4.51255 7.83734 13.815 numMergedOcc 0
23 mol 206 unq 3 iso 0 dist 9.774 6.11803 8.77621 6.23183 7.83734 9.90756 numMergedOcc 0
24 mol 222 unq 0 iso 0 dist 8.01589 8.36659 6.24593 5.1609 6.91863 4.7232 numMergedOcc 0
25 mol 222 unq 1 iso 0 dist 8.01589 9.18913 6.80274 5.1609 6.91863 10.8533 numMergedOcc 0
26 mol 222 unq 2 iso 0 dist 7.7699 8.36659 7.27562 5.1609 8.26703 4.7232 numMergedOcc 0
27 mol 222 unq 3 iso 0 dist 7.7699 9.18913 8.72187 5.1609 8.26703 10.8533 numMergedOcc 0
28 mol 222 unq 4 iso 0 dist 7.21333 8.36659 10.367 5.1609 8.89157 4.7232 numMergedOcc 0
29 mol 222 unq 5 iso 0 dist 7.21333 9.18913 12.4303 5.1609 8.89157 10.8533 numMergedOcc 0
30 mol 253 unq 0 iso 0 dist 7.32223 9.29422 3.87128 9.19385 5.85692 9.47332 numMergedOcc 0
31 mol 253 unq 1 iso 0 dist 7.32223 9.29422 3.87128 7.14243 9.00842 10.796 numMergedOcc 0
32 mol 253 unq 2 iso 0 dist 7.32223 9.29422 3.87128 5.77511 11.5574 13.1078 numMergedOcc 0
33 mol 253 unq 3 iso 0 dist 7.32223 9.29422 3.87128 7.81382 12.8384 13.5611 numMergedOcc 0
34 mol 253 unq 4 iso 0 dist 8.31064 9.29422 10.8347 9.19385 6.0222 9.47332 numMergedOcc 0
35 mol 253 unq 5 iso 0 dist 8.31064 9.29422 10.8347 7.14243 6.93212 10.796 numMergedOcc 0
36 mol 253 unq 6 iso 0 dist 8.31064 9.29422 10.8347 5.77511 10.2118 13.1078 numMergedOcc 0
37 mol 253 unq 7 iso 0 dist 8.31064 9.29422 10.8347 7.81382 12.4811 13.5611 numMergedOcc 0
38 mol 258 unq 0 iso 0 dist 6.97229 5.8473 6.87078 7.12221 6.24714 8.70164 numMergedOcc 0
39 mol 258 unq 1 iso 0 dist 6.97229 5.8473 6.87078 5.4557 4.02333 4.05528 numMergedOcc 0
40 mol 258 unq 2 iso 0 dist 6.97229 6.78929 4.5427 7.12221 6.24714 8.5006 numMergedOcc 0
41 mol 258 unq 3 iso 0 dist 6.97229 6.78929 4.5427 5.4557 4.02333 5.72883 numMergedOcc 0
42 mol 274 unq 0 iso 0 dist 7.56915 8.98154 8.93097 9.83622 4.24652 7.25285 numMergedOcc 0
43 mol 274 unq 1 iso 0 dist 8.49997 8.98154 6.55065 9.83622 7.38951 7.25285 numMergedOcc 0
44 mol 277 unq 0 iso 0 dist 9.7748 6.64082 10.9417 4.9764 11.8607 11.4713 numMergedOcc 0
45 mol 277 unq 1 iso 0 dist 9.7748 6.64082 10.9417 6.36559 10.9137 11.9414 numMergedOcc 0
