0 mol 19 unq 0 iso 0 dist 8.4674 4.54938 7.67038 9.71584 6.10339 10.8897 5.18512 10.1882 6.92532 13.1409 numMergedOcc 0
1 mol 19 unq 1 iso 0 dist 8.4674 7.82074 10.3915 9.71584 6.10339 14.9801 5.18512 10.1882 6.36455 13.1409 numMergedOcc 0
2 mol 19 unq 2 iso 0 dist 4.54938 7.82074 5.03957 10.2774 6.50337 9.57968 5.18512 6.92532 6.36455 13.3939 numMergedOcc 0
3 mol 19 unq 3 iso 0 dist 4.51865 6.864 7.67038 4.13497 6.10339 10.8897 9.47529 10.1882 6.92532 13.1409 numMergedOcc 0
4 mol 43 unq 0 iso 0 dist 8.80331 6.20293 8.13395 14.0634 9.89546 14.792 9.06158 9.93832 8.60739 9.01849 numMergedOcc 0
5 mol 43 unq 1 iso 0 dist 6.20293 8.80331 8.13395 6.09486 9.07906 14.1869 9.06158 8.60739 9.93832 13.8877 numMergedOcc 0
6 mol 73 unq 0 iso 0 dist 8.70481 9.96396 14.9342 10.169 5.62694 17.3112 8.26458 10.3244 7.04044 11.3599 numMergedOcc 0
7 mol 73 unq 1 iso 0 dist 8.70481 6.19304 13.3558 10.169 5.62694 15.7282 8.26458 10.3244 8.73253 11.3599 numMergedOcc 0
8 mol 85 unq 0 iso 0 dist 7.97049 6.19965 5.42586 5.46695 8.77199 8.81824 7.91778 12.3486 7.33422 12.3035 numMergedOcc 0
9 mol 85 unq 1 iso 0 dist 7.47541 7.66905 5.42586 11.3211 8.77199 8.81824 10.121 12.3486 7.33422 12.3035 numMergedOcc 0
10 mol 109 unq 0 iso 0 dist 7.34473 8.58044 7 6.62208 8.43667 13.4519 5.54205 10.3189 8.89913 10.2009 numMergedOcc 0
11 mol 133 unq 0 iso 0 dist 6.80239 6.29155 7.81217 5.58281 8.75049 10.6168 5.74088 11.1595 6.76699 10.7971 numMergedOcc 0
12 mol 152 unq 0 iso 0 dist 8.87437 5.87555 5.49936 8.18329 5.7527 8.86966 5.70788 13.1536 8.28642 13.6807 numMergedOcc 0
13 mol 152 unq 1 iso 0 dist 6.70283 8.56324 7.65448 5.97115 8.86966 13.4958 9.35627 8.28642 9.77552 13.6807 numMergedOcc 0
14 mol 152 unq 2 iso 0 dist 7.16148 8.56324 10.6875 5.97115 5.7527 13.4958 9.35627 13.1536 9.77552 13.6807 numMergedOcc 0
15 mol 152 unq 3 iso 0 dist 7.16148 6.70283 5.49936 5.97115 5.7527 8.86966 9.35627 13.1536 8.28642 13.6807 numMergedOcc 0
16 mol 152 unq 4 iso 0 dist 8.05741 8.67331 5.49936 4.36394 5.7527 8.86966 11.2078 13.1536 8.28642 13.6807 numMergedOcc 0
17 mol 186 unq 0 iso 0 dist 9.70748 7.54065 13.8792 6.61139 9.28036 12.2442 8.90184 18.0414 7.20574 12.5383 numMergedOcc 0
18 mol 186 unq 1 iso 0 dist 9.70748 8.87694 14.9058 6.61139 9.28036 10.3718 8.90184 18.0414 6.85302 12.5383 numMergedOcc 0
19 mol 186 unq 2 iso 0 dist 9.70748 8.87694 14.9058 6.61139 9.28036 10.3718 12.8303 20.9635 9.98215 12.6615 numMergedOcc 0
20 mol 186 unq 3 iso 0 dist 8.87694 9.09754 9.50685 9.6018 9.83935 15.1388 9.97575 15.9107 8.64409 16.8669 numMergedOcc 0
21 mol 206 unq 0 iso 0 dist 7.7366 9.774 5.63422 8.77621 9.73419 6.11803 9.9412 12.3357 8.70977 3.31862 numMergedOcc 0
22 mol 206 unq 1 iso 0 dist 7.7366 9.774 5.63422 10.2691 9.99824 13.6535 9.9412 12.3357 8.70977 17.0297 numMergedOcc 0
23 mol 227 unq 0 iso 0 dist 7.09863 7.22101 4.39704 6.16261 6.40086 9.68793 10.5813 12.2278 8.03442 15.8396 numMergedOcc 0
24 mol 252 unq 0 iso 0 dist 8.33025 8.1148 6.0987 12.9824 6.38733 10.5963 9.32326 10.7615 6.11473 13.2367 numMergedOcc 0
25 mol 252 unq 1 iso 0 dist 8.33025 8.1148 6.0987 12.9824 6.38733 10.5963 5.89666 12.0482 8.47784 17.0891 numMergedOcc 0
26 mol 252 unq 2 iso 0 dist 8.33025 8.1148 6.0987 12.9824 6.38733 10.5963 11.056 7.50201 6.53679 7.10224 numMergedOcc 0
27 mol 252 unq 3 iso 0 dist 8.33025 8.1148 6.0987 15.2956 9.64349 14.1962 9.32326 10.7615 6.11473 16.1985 numMergedOcc 0
28 mol 252 unq 4 iso 0 dist 8.33025 8.1148 6.0987 15.2956 9.64349 14.1962 5.89666 12.0482 8.47784 19.9612 numMergedOcc 0
29 mol 252 unq 5 iso 0 dist 8.33025 8.1148 6.0987 15.2956 9.64349 14.1962 11.056 7.50201 6.53679 10.1113 numMergedOcc 0
30 mol 252 unq 6 iso 0 dist 9.2288 8.1715 6.0987 9.78504 6.38733 10.5963 5.72783 10.7615 6.11473 13.2367 numMergedOcc 0
31 mol 252 unq 7 iso 0 dist 9.2288 8.1715 6.0987 9.78504 6.38733 10.5963 10.672 12.0482 8.47784 17.0891 numMergedOcc 0
32 mol 252 unq 8 iso 0 dist 9.2288 8.1715 6.0987 9.78504 6.38733 10.5963 5.23748 7.50201 6.53679 7.10224 numMergedOcc 0
33 mol 252 unq 9 iso 0 dist 9.2288 8.1715 6.0987 11.8272 9.64349 14.1962 5.72783 10.7615 6.11473 16.1985 numMergedOcc 0
34 mol 252 unq 10 iso 0 dist 9.2288 8.1715 6.0987 11.8272 9.64349 14.1962 10.672 12.0482 8.47784 19.9612 numMergedOcc 0
35 mol 252 unq 11 iso 0 dist 9.2288 8.1715 6.0987 11.8272 9.64349 14.1962 5.23748 7.50201 6.53679 10.1113 numMergedOcc 0
36 mol 253 unq 0 iso 0 dist 8.31064 6.73034 8.02948 10.8347 9.29422 15.1393 6.89124 13.1441 9.66465 14.1308 numMergedOcc 0
37 mol 261 unq 0 iso 0 dist 9.14619 8.45658 7.00201 15.4874 9.00426 14.9571 6.04016 5.26434 8.60026 9.46424 numMergedOcc 0
38 mol 261 unq 1 iso 0 dist 9.14619 8.45658 7.00201 13.3429 8.19348 12.6716 6.04016 5.26434 8.60026 7.48263 numMergedOcc 0
