0 mol 11 unq 0 iso 0 dist 8.22232 10.94 5.40468 10.3451 7.16699 6.83186 16.6731 11.6776 6.51674 9.81983 numMergedOcc 0
1 mol 34 unq 0 iso 0 dist 7.50918 6.64208 8.73053 12.3441 8.52974 9.48125 8.0597 10.3173 9.92713 9.95093 numMergedOcc 0
2 mol 34 unq 1 iso 0 dist 9.18907 6.64208 7.07087 12.3441 5.27925 9.48125 8.0597 10.5841 9.92713 9.95093 numMergedOcc 0
3 mol 46 unq 0 iso 0 dist 7.43338 8.28528 7.44805 10.7521 6.81182 3.77542 6.5207 6.02472 3.57198 5.53419 numMergedOcc 0
4 mol 48 unq 0 iso 0 dist 9.78023 11.213 9.55284 11.5137 6.25072 5.54472 7.73842 8.50475 3.50984 6.28603 numMergedOcc 0
5 mol 48 unq 1 iso 0 dist 9.78023 11.213 9.55284 12.2006 3.72926 8.62369 7.73842 8.50475 3.50984 8.80303 numMergedOcc 0
6 mol 48 unq 2 iso 0 dist 9.78023 11.213 9.55284 12.1193 8.48678 6.5241 7.73842 8.50475 3.50984 7.11491 numMergedOcc 0
7 mol 48 unq 3 iso 0 dist 9.79657 10.6247 8.52681 12.1193 6.44604 4.22002 7.73842 9.48288 5.39812 7.11491 numMergedOcc 0
8 mol 48 unq 4 iso 0 dist 9.79657 7.07594 9.98769 12.1193 6.44604 8.10774 7.73842 9.48288 3.59761 7.11491 numMergedOcc 0
9 mol 79 unq 0 iso 0 dist 9.8089 9.57279 6.64921 11.592 4.15002 4.15789 5.63508 5.72627 4.37918 6.2576 numMergedOcc 0
10 mol 79 unq 1 iso 0 dist 9.8089 9.57279 6.64921 11.592 4.15002 4.15789 9.73669 7.68741 9.08423 8.96069 numMergedOcc 0
11 mol 79 unq 2 iso 0 dist 9.8089 9.57279 6.64921 11.592 4.15002 4.15789 12.6221 9.76351 6.29733 7.56495 numMergedOcc 0
12 mol 79 unq 3 iso 0 dist 9.8089 9.57279 6.64921 14.3382 9.36535 4.808 13.3616 12.6483 6.0298 5.79139 numMergedOcc 0
13 mol 79 unq 4 iso 0 dist 9.8089 9.57279 6.64921 14.3382 9.36535 4.808 12.6221 9.76351 6.29733 7.63923 numMergedOcc 0
14 mol 83 unq 0 iso 0 dist 7.9309 6.60457 5.13041 12.2134 4.48523 7.50925 8.07204 5.68212 8.98065 8.99451 numMergedOcc 0
15 mol 101 unq 0 iso 0 dist 9.60223 6.741 8.2549 12.2095 6.43467 8.19144 15.2193 14.3413 13.0976 9.44645 numMergedOcc 0
16 mol 101 unq 1 iso 0 dist 7.11476 4.80201 8.2549 6.54699 6.43467 8.19144 9.70552 14.3413 13.0976 9.44645 numMergedOcc 0
17 mol 131 unq 0 iso 0 dist 4.56886 7.67738 7.34765 7.382 3.82317 7.53342 10.6596 9.75061 4.94367 7.84546 numMergedOcc 0
18 mol 141 unq 0 iso 0 dist 8.5614 4.49266 5.28634 4.93944 6.1672 4.88514 14.0112 13.1958 13.8739 9.59109 numMergedOcc 0
19 mol 193 unq 0 iso 0 dist 7.71716 11.2707 9.73679 10.8116 4.8988 8.30069 5.35985 9.16058 11.1328 9.9042 numMergedOcc 0
20 mol 193 unq 1 iso 0 dist 7.71716 11.2707 9.73679 10.8116 4.8988 8.30069 12.1335 9.39453 11.4882 6.21262 numMergedOcc 0
21 mol 193 unq 2 iso 0 dist 8.71993 4.40965 9.73679 6.10013 4.8988 8.30069 12.9817 9.16058 11.1328 9.9042 numMergedOcc 0
22 mol 193 unq 3 iso 0 dist 8.71993 4.40965 9.73679 6.10013 4.8988 8.30069 10.7013 9.39453 11.4882 6.21262 numMergedOcc 0
23 mol 260 unq 0 iso 0 dist 8.13605 8.05498 4.76164 12.295 9.45061 8.62655 8.78038 10.1774 7.28821 6.49413 numMergedOcc 0
24 mol 287 unq 0 iso 0 dist 9.24592 10.326 5.55176 7.29668 5.13698 4.68668 7.65493 12.6821 9.88575 8.58427 numMergedOcc 0
25 mol 288 unq 0 iso 0 dist 9.24592 10.326 5.55176 7.29668 5.13698 4.68668 7.65493 12.6821 9.88575 8.58427 numMergedOcc 0
26 mol 289 unq 0 iso 0 dist 9.24592 10.326 5.55176 7.29668 5.13698 4.68668 7.65493 12.6821 9.88575 8.58427 numMergedOcc 0
