0 mol 15 unq 0 iso 0 dist 9.97507 6.82505 5.17568 9.03536 8.38064 10.4158 4.13564 11.371 7.88714 11.0267 numMergedOcc 0
1 mol 19 unq 0 iso 0 dist 8.4674 4.54938 7.67038 5.80928 4.51865 6.864 10.2774 10.7864 6.50337 10.3465 numMergedOcc 0
2 mol 19 unq 1 iso 0 dist 4.54938 8.4674 7.67038 7.34551 7.20519 10.4091 9.71584 10.8897 6.10339 9.50443 numMergedOcc 0
3 mol 19 unq 2 iso 0 dist 4.54938 8.4674 7.67038 5.80928 6.864 4.51865 9.71584 10.8897 6.10339 4.13497 numMergedOcc 0
4 mol 19 unq 3 iso 0 dist 4.51865 6.864 7.67038 5.80928 8.4674 4.54938 10.3465 10.7864 6.50337 10.2774 numMergedOcc 0
5 mol 19 unq 4 iso 0 dist 6.864 4.51865 7.67038 7.07775 7.20519 10.4091 4.13497 10.8897 6.10339 9.50443 numMergedOcc 0
6 mol 19 unq 5 iso 0 dist 6.864 4.51865 7.67038 5.80928 4.54938 8.4674 4.13497 10.8897 6.10339 9.71584 numMergedOcc 0
7 mol 43 unq 0 iso 0 dist 6.20293 8.80331 8.13395 5.06502 5.73819 10.5523 14.0634 14.792 9.89546 13.4753 numMergedOcc 0
8 mol 43 unq 1 iso 0 dist 6.20293 8.80331 8.13395 6.45462 8.93915 14.7803 14.0634 14.792 9.89546 18.7738 numMergedOcc 0
9 mol 60 unq 0 iso 0 dist 6.65595 6.43294 10.6819 6.54743 8.90863 11.5843 8.04342 14.6989 8.43677 10.7766 numMergedOcc 0
10 mol 60 unq 1 iso 0 dist 6.65595 6.43294 10.6819 6.54743 8.90863 11.5843 4.32336 10.3081 7.77255 9.12976 numMergedOcc 0
11 mol 73 unq 0 iso 0 dist 9.96396 8.70481 14.9342 15.7123 9.38498 20.257 10.169 17.3112 5.62694 24.207 numMergedOcc 0
12 mol 73 unq 1 iso 0 dist 9.96396 8.70481 14.9342 12.016 9.75218 10.1207 10.169 17.3112 5.62694 14.3257 numMergedOcc 0
13 mol 85 unq 0 iso 0 dist 7.97049 6.19965 5.42586 6.9948 7.47541 7.66905 5.46695 8.77199 8.81824 11.3211 numMergedOcc 0
14 mol 85 unq 1 iso 0 dist 7.47541 7.66905 5.42586 6.9948 7.97049 6.19965 11.3211 8.77199 8.81824 5.46695 numMergedOcc 0
15 mol 85 unq 2 iso 0 dist 6.19965 7.97049 5.42586 4.26409 7.95579 11.3023 5.46695 8.81824 8.77199 6.62562 numMergedOcc 0
16 mol 85 unq 3 iso 0 dist 6.19965 7.97049 5.42586 6.9948 7.66905 7.47541 5.46695 8.81824 8.77199 11.3211 numMergedOcc 0
17 mol 85 unq 4 iso 0 dist 7.66905 7.47541 5.42586 10.7229 7.95579 11.3023 11.3211 8.81824 8.77199 6.62562 numMergedOcc 0
18 mol 85 unq 5 iso 0 dist 7.66905 7.47541 5.42586 6.9948 6.19965 7.97049 11.3211 8.81824 8.77199 5.46695 numMergedOcc 0
19 mol 95 unq 0 iso 0 dist 9.01083 7.2658 5.53837 8.18643 7.88289 11.152 7.85262 11.1905 8.82395 12.3861 numMergedOcc 0
20 mol 95 unq 1 iso 0 dist 8.03644 7.27724 8.41707 16.6055 9.03572 16.9836 14.2706 16.0612 8.69749 23.5725 numMergedOcc 0
21 mol 95 unq 2 iso 0 dist 8.03644 7.27724 8.41707 16.6055 9.03572 16.9836 11.0946 14.145 5.96576 22.5079 numMergedOcc 0
22 mol 95 unq 3 iso 0 dist 8.03644 7.27724 8.41707 13.8105 8.83255 16.9811 14.2706 16.0612 8.69749 24.0844 numMergedOcc 0
23 mol 95 unq 4 iso 0 dist 8.03644 7.27724 8.41707 13.8105 8.83255 16.9811 11.0946 14.145 5.96576 22.3838 numMergedOcc 0
24 mol 100 unq 0 iso 0 dist 9.60661 7.17106 11.5403 5.88134 6.65086 10.5134 8.07597 15.4133 7.98814 13.8188 numMergedOcc 0
25 mol 100 unq 1 iso 0 dist 9.35224 7.17106 8.87654 5.88134 6.56369 10.5134 8.07597 15.5327 7.98814 13.8188 numMergedOcc 0
26 mol 133 unq 0 iso 0 dist 8.00618 6.80239 7.79672 8.18495 7.11802 12.6651 5.58281 10.6275 8.75049 10.7358 numMergedOcc 0
27 mol 152 unq 0 iso 0 dist 5.87555 8.87437 5.49936 5.42328 6.70283 7.16148 8.18329 8.86966 5.7527 5.97115 numMergedOcc 0
28 mol 152 unq 1 iso 0 dist 5.87555 8.87437 5.49936 5.54906 8.67331 8.05741 8.18329 8.86966 5.7527 4.36394 numMergedOcc 0
29 mol 152 unq 2 iso 0 dist 8.87437 5.87555 5.49936 5.42328 7.16148 6.70283 8.18329 5.7527 8.86966 5.97115 numMergedOcc 0
30 mol 152 unq 3 iso 0 dist 8.87437 5.87555 5.49936 5.54906 8.05741 8.67331 8.18329 5.7527 8.86966 4.36394 numMergedOcc 0
31 mol 152 unq 4 iso 0 dist 6.70283 7.16148 5.49936 5.42328 5.87555 8.87437 5.97115 8.86966 5.7527 8.18329 numMergedOcc 0
32 mol 152 unq 5 iso 0 dist 6.70283 7.16148 5.49936 6.4896 8.67331 8.05741 5.97115 8.86966 5.7527 4.36394 numMergedOcc 0
33 mol 152 unq 6 iso 0 dist 7.16148 6.70283 5.49936 5.42328 8.87437 5.87555 5.97115 5.7527 8.86966 8.18329 numMergedOcc 0
34 mol 152 unq 7 iso 0 dist 7.16148 6.70283 5.49936 6.4896 8.05741 8.67331 5.97115 5.7527 8.86966 4.36394 numMergedOcc 0
35 mol 152 unq 8 iso 0 dist 8.67331 8.05741 5.49936 5.54906 5.87555 8.87437 4.36394 8.86966 5.7527 8.18329 numMergedOcc 0
36 mol 152 unq 9 iso 0 dist 8.67331 8.05741 5.49936 6.4896 6.70283 7.16148 4.36394 8.86966 5.7527 5.97115 numMergedOcc 0
37 mol 152 unq 10 iso 0 dist 8.05741 8.67331 5.49936 5.54906 8.87437 5.87555 4.36394 5.7527 8.86966 8.18329 numMergedOcc 0
38 mol 152 unq 11 iso 0 dist 8.05741 8.67331 5.49936 6.4896 7.16148 6.70283 4.36394 5.7527 8.86966 5.97115 numMergedOcc 0
39 mol 155 unq 0 iso 0 dist 7.46303 6.43582 7.66392 5.71071 6.23493 10.2463 4.47054 10.3868 6.89245 8.32106 numMergedOcc 0
40 mol 156 unq 0 iso 0 dist 8.94056 7.66148 10.1658 5.56175 7.44554 12.0598 4.09911 12.3863 8.6851 8.54351 numMergedOcc 0
41 mol 156 unq 1 iso 0 dist 8.94056 7.66148 10.1658 11.2719 9.83699 15.1382 4.09911 12.3863 8.6851 12.2547 numMergedOcc 0
42 mol 186 unq 0 iso 0 dist 8.87694 9.70748 14.9058 9.50685 9.09754 18.6929 6.61139 10.3718 9.28036 11.4424 numMergedOcc 0
43 mol 206 unq 0 iso 0 dist 9.774 7.7366 5.63422 10.4 8.02137 11.1804 8.77621 6.11803 9.73419 7.25848 numMergedOcc 0
44 mol 206 unq 1 iso 0 dist 9.774 7.7366 5.63422 10.4 8.02137 11.1804 10.2691 13.6535 9.99824 18.8969 numMergedOcc 0
45 mol 227 unq 0 iso 0 dist 7.22101 7.09863 4.39704 6.99063 9.34734 10.4905 6.16261 9.68793 6.40086 10.2987 numMergedOcc 0
46 mol 227 unq 1 iso 0 dist 7.22101 7.09863 4.39704 5.22356 8.65997 10.8157 6.16261 9.68793 6.40086 11.3848 numMergedOcc 0
47 mol 227 unq 2 iso 0 dist 7.22101 7.09863 4.39704 10.8658 7.56888 11.0431 6.16261 9.68793 6.40086 14.5919 numMergedOcc 0
48 mol 227 unq 3 iso 0 dist 7.22101 7.09863 4.39704 12.4689 7.55216 10.0334 6.16261 9.68793 6.40086 14.3995 numMergedOcc 0
49 mol 252 unq 0 iso 0 dist 8.1148 8.33025 6.0987 8.41807 8.1715 9.2288 12.9824 10.5963 6.38733 9.78504 numMergedOcc 0
50 mol 252 unq 1 iso 0 dist 8.1148 8.33025 6.0987 8.41807 8.1715 9.2288 15.2956 14.1962 9.64349 11.8272 numMergedOcc 0
51 mol 252 unq 2 iso 0 dist 8.1715 9.2288 6.0987 8.41807 8.1148 8.33025 9.78504 10.5963 6.38733 12.9824 numMergedOcc 0
52 mol 252 unq 3 iso 0 dist 8.1715 9.2288 6.0987 8.41807 8.1148 8.33025 11.8272 14.1962 9.64349 15.2956 numMergedOcc 0
53 mol 252 unq 4 iso 0 dist 8.33025 7.19638 14.9102 6.0987 8.1148 10.5136 6.56535 14.2794 7.48298 10.9088 numMergedOcc 0
54 mol 252 unq 5 iso 0 dist 8.33025 7.19638 14.9102 6.0987 8.1148 10.5136 4.51829 10.8005 8.9483 9.90185 numMergedOcc 0
55 mol 252 unq 6 iso 0 dist 9.2288 7.19638 11.7918 6.0987 8.1715 10.5136 6.56535 15.4631 7.48298 10.9088 numMergedOcc 0
56 mol 252 unq 7 iso 0 dist 9.2288 7.19638 11.7918 6.0987 8.1715 10.5136 4.51829 13.4944 8.9483 9.90185 numMergedOcc 0
