0 mol 10 unq 0 iso 0 dist 6.74091 8.19933 9.0507 8.12738 8.44792 9.17574 numMergedOcc 0
1 mol 10 unq 1 iso 0 dist 6.74091 8.19933 9.0507 4.06691 4.94198 10.8155 numMergedOcc 0
2 mol 10 unq 2 iso 0 dist 6.74091 8.19933 9.0507 10.1984 9.62353 15.4657 numMergedOcc 0
3 mol 67 unq 0 iso 0 dist 5.16558 7.98453 4.31746 7.68524 8.4702 10.0501 numMergedOcc 0
4 mol 79 unq 0 iso 0 dist 9.04935 6.9297 6.04435 8.47393 7.06029 6.86517 numMergedOcc 0
5 mol 85 unq 0 iso 0 dist 9.66549 5.99046 7.40161 11.9486 9.86038 12.394 numMergedOcc 0
6 mol 93 unq 0 iso 0 dist 8.84466 6.70158 12.9548 13.6305 5.10693 17.856 numMergedOcc 0
7 mol 93 unq 1 iso 0 dist 8.84466 6.70158 12.9548 14.1431 6.58814 19.1296 numMergedOcc 0
8 mol 93 unq 2 iso 0 dist 8.84466 6.70158 12.9548 3.99275 6.13459 7.48947 numMergedOcc 0
9 mol 93 unq 3 iso 0 dist 8.84466 6.70158 12.9548 6.46195 7.54391 11.4564 numMergedOcc 0
10 mol 93 unq 4 iso 0 dist 8.84466 7.29701 15.595 13.6305 5.10693 20.1017 numMergedOcc 0
11 mol 93 unq 5 iso 0 dist 8.84466 7.29701 15.595 14.1431 6.58814 20.0375 numMergedOcc 0
12 mol 93 unq 6 iso 0 dist 8.84466 7.29701 15.595 3.99275 6.13459 11.2438 numMergedOcc 0
13 mol 93 unq 7 iso 0 dist 8.84466 7.29701 15.595 6.46195 7.54391 12.0199 numMergedOcc 0
14 mol 109 unq 0 iso 0 dist 9.16344 8.70427 9.74143 3.68143 7.39028 5.54226 numMergedOcc 0
15 mol 133 unq 0 iso 0 dist 5.59311 9.68996 6.00816 4.88335 8.22722 12.2197 numMergedOcc 0
16 mol 133 unq 1 iso 0 dist 5.7232 9.68996 14.6925 4.88335 8.52036 12.2197 numMergedOcc 0
17 mol 147 unq 0 iso 0 dist 6.28769 9.29523 6.78733 7.56825 8.76449 14.9303 numMergedOcc 0
18 mol 147 unq 1 iso 0 dist 6.28769 9.29523 6.78733 5.56838 8.36182 13.7615 numMergedOcc 0
19 mol 186 unq 0 iso 0 dist 7.45384 7.77211 13.0423 12.0957 9.14525 19.6429 numMergedOcc 0
20 mol 287 unq 0 iso 0 dist 8.19213 8.58448 8.99712 3.76412 8.82649 11.062 numMergedOcc 0
21 mol 287 unq 1 iso 0 dist 5.80664 8.58448 4.3442 3.76412 7.35776 11.062 numMergedOcc 0
22 mol 287 unq 2 iso 0 dist 5.80664 8.58448 4.3442 5.39384 9.59195 13.1556 numMergedOcc 0
23 mol 288 unq 0 iso 0 dist 8.19213 8.58448 8.99712 3.76412 8.82649 11.062 numMergedOcc 0
24 mol 288 unq 1 iso 0 dist 5.80664 8.58448 4.3442 3.76412 7.35776 11.062 numMergedOcc 0
25 mol 288 unq 2 iso 0 dist 5.80664 8.58448 4.3442 5.39384 9.59195 13.1556 numMergedOcc 0
26 mol 289 unq 0 iso 0 dist 8.19213 8.58448 8.99712 3.76412 8.82649 11.062 numMergedOcc 0
27 mol 289 unq 1 iso 0 dist 5.80664 8.58448 4.3442 3.76412 7.35776 11.062 numMergedOcc 0
28 mol 289 unq 2 iso 0 dist 5.80664 8.58448 4.3442 5.39384 9.59195 13.1556 numMergedOcc 0
29 mol 294 unq 0 iso 0 dist 8.88961 8.83246 7.33654 11.7154 7.48987 9.93413 numMergedOcc 0
30 mol 294 unq 1 iso 0 dist 8.88961 8.83246 7.33654 9.30905 8.35637 14.0663 numMergedOcc 0
