0 mol 18 unq 0 iso 0 dist 7.66002 8.81762 6.6768 8.95573 5.61403 4.71158 numMergedOcc 0
1 mol 18 unq 1 iso 0 dist 7.66002 5.32149 10.1168 8.95573 5.61403 8.70343 numMergedOcc 0
2 mol 18 unq 2 iso 0 dist 6.83177 8.81762 12.6736 8.95573 13.8893 4.71158 numMergedOcc 0
3 mol 18 unq 3 iso 0 dist 6.83177 5.32149 5.73846 8.95573 13.8893 8.70343 numMergedOcc 0
4 mol 20 unq 0 iso 0 dist 9.25342 9.44151 10.7399 8.71628 5.48326 12.5816 numMergedOcc 0
5 mol 43 unq 0 iso 0 dist 9.57204 6.84521 13.8309 7.84444 9.29755 8.01951 numMergedOcc 0
6 mol 43 unq 1 iso 0 dist 9.57204 8.90024 17.7655 7.84444 9.29755 12.2025 numMergedOcc 0
7 mol 43 unq 2 iso 0 dist 9.57204 6.78532 14.5683 7.84444 9.29755 7.68348 numMergedOcc 0
8 mol 72 unq 0 iso 0 dist 5.88647 5.48831 5.46166 7.95972 10.2335 7.17489 numMergedOcc 0
9 mol 72 unq 1 iso 0 dist 5.88647 9.39178 5.58151 7.95972 10.2335 12.6531 numMergedOcc 0
10 mol 90 unq 0 iso 0 dist 8.86576 9.25901 7.74462 6.88603 13.2633 9.06747 numMergedOcc 0
11 mol 90 unq 1 iso 0 dist 8.86576 7.96299 11.6072 6.88603 13.2633 9.85676 numMergedOcc 0
12 mol 92 unq 0 iso 0 dist 8.79798 9.96446 16.134 9.62702 12.1565 10.9381 numMergedOcc 0
13 mol 92 unq 1 iso 0 dist 8.79798 9.96446 16.134 6.97484 4.98716 12.1976 numMergedOcc 0
14 mol 92 unq 2 iso 0 dist 8.79798 6.70686 13.618 9.62702 12.1565 7.17408 numMergedOcc 0
15 mol 92 unq 3 iso 0 dist 8.79798 6.70686 13.618 6.97484 4.98716 10.944 numMergedOcc 0
16 mol 94 unq 0 iso 0 dist 8.32077 6.31237 10.4772 6.64613 10.6036 7.39788 numMergedOcc 0
17 mol 95 unq 0 iso 0 dist 9.96575 8.07365 8.88286 6.47401 10.8572 8.73564 numMergedOcc 0
18 mol 95 unq 1 iso 0 dist 8.59592 8.07365 9.02184 6.47401 4.46367 8.73564 numMergedOcc 0
19 mol 133 unq 0 iso 0 dist 8.34402 8.66715 6.80292 4.95674 10.546 12.0863 numMergedOcc 0
20 mol 133 unq 1 iso 0 dist 8.34402 9.00172 11.8155 4.95674 10.546 9.53782 numMergedOcc 0
21 mol 133 unq 2 iso 0 dist 8.07957 8.95433 6.80292 9.59094 9.65497 4.68409 numMergedOcc 0
22 mol 134 unq 0 iso 0 dist 6.42569 8.94541 9.54131 4.87879 4.72977 5.9915 numMergedOcc 0
23 mol 264 unq 0 iso 0 dist 7.97228 9.07206 8.32714 5.50677 9.74595 14.073 numMergedOcc 0
24 mol 264 unq 1 iso 0 dist 7.97228 9.07206 8.32714 8.75957 13.7336 16.8934 numMergedOcc 0
25 mol 266 unq 0 iso 0 dist 8.55696 6.95233 5.928 9.15288 6.47152 4.27792 numMergedOcc 0
26 mol 266 unq 1 iso 0 dist 8.55696 6.95233 5.928 6.11795 10.9704 11.5523 numMergedOcc 0
27 mol 266 unq 2 iso 0 dist 8.55696 9.61741 9.08196 9.15288 6.47152 14.2479 numMergedOcc 0
28 mol 266 unq 3 iso 0 dist 8.55696 9.61741 9.08196 6.11795 10.9704 6.98866 numMergedOcc 0
29 mol 266 unq 4 iso 0 dist 8.55696 5.61056 6.4179 9.15288 6.47152 10.5058 numMergedOcc 0
30 mol 266 unq 5 iso 0 dist 8.55696 5.61056 6.4179 6.11795 10.9704 5.19574 numMergedOcc 0
31 mol 266 unq 6 iso 0 dist 7.45814 6.95233 11.1633 9.15288 13.6023 4.27792 numMergedOcc 0
32 mol 266 unq 7 iso 0 dist 7.45814 6.95233 11.1633 6.11795 10.8889 11.5523 numMergedOcc 0
33 mol 266 unq 8 iso 0 dist 7.45814 9.61741 16.5582 9.15288 13.6023 14.2479 numMergedOcc 0
34 mol 266 unq 9 iso 0 dist 7.45814 9.61741 16.5582 6.11795 10.8889 6.98866 numMergedOcc 0
35 mol 266 unq 10 iso 0 dist 7.45814 5.61056 11.8299 9.15288 13.6023 10.5058 numMergedOcc 0
36 mol 266 unq 11 iso 0 dist 7.45814 5.61056 11.8299 6.11795 10.8889 5.19574 numMergedOcc 0
37 mol 273 unq 0 iso 0 dist 8.24507 9.79022 9.45651 9.93542 11.8694 7.00883 numMergedOcc 0
38 mol 277 unq 0 iso 0 dist 7.64708 9.38793 10.9419 9.28545 10.0256 17.5025 numMergedOcc 0
39 mol 277 unq 1 iso 0 dist 5.73065 9.38793 12.4605 9.28545 8.46112 17.5025 numMergedOcc 0
40 mol 294 unq 0 iso 0 dist 9.91042 7.77765 12.9029 7.86196 7.47947 6.17102 numMergedOcc 0
