0 mol 15 unq 0 iso 0 dist 6.82505 9.97507 5.17568 4.13564 7.88714 11.371 numMergedOcc 0
1 mol 19 unq 0 iso 0 dist 8.4674 4.54938 7.67038 9.71584 6.10339 10.8897 numMergedOcc 0
2 mol 19 unq 1 iso 0 dist 8.4674 7.82074 10.3915 9.71584 6.10339 14.9801 numMergedOcc 0
3 mol 19 unq 2 iso 0 dist 4.54938 8.4674 7.67038 10.2774 6.50337 10.7864 numMergedOcc 0
4 mol 19 unq 3 iso 0 dist 4.54938 7.82074 5.03957 10.2774 6.50337 9.57968 numMergedOcc 0
5 mol 19 unq 4 iso 0 dist 4.51865 6.864 7.67038 4.13497 6.10339 10.8897 numMergedOcc 0
6 mol 19 unq 5 iso 0 dist 6.864 4.51865 7.67038 10.3465 6.50337 10.7864 numMergedOcc 0
7 mol 24 unq 0 iso 0 dist 8.86116 6.86014 10.0952 5.86882 6.07553 10.0889 numMergedOcc 0
8 mol 24 unq 1 iso 0 dist 8.86116 6.86014 10.0952 9.9259 6.48457 9.11809 numMergedOcc 0
9 mol 43 unq 0 iso 0 dist 8.80331 6.20293 8.13395 14.0634 9.89546 14.792 numMergedOcc 0
10 mol 43 unq 1 iso 0 dist 6.20293 8.80331 8.13395 6.09486 9.07906 14.1869 numMergedOcc 0
11 mol 45 unq 0 iso 0 dist 7.2846 7.58835 8.81358 4.91588 7.742 11.975 numMergedOcc 0
12 mol 54 unq 0 iso 0 dist 9.5589 6.83299 5.08001 15.2053 8.41018 11.78 numMergedOcc 0
13 mol 54 unq 1 iso 0 dist 9.5589 8.10861 16.3192 15.2053 8.41018 22.4204 numMergedOcc 0
14 mol 60 unq 0 iso 0 dist 6.43294 6.65595 10.6819 8.04342 8.43677 14.6989 numMergedOcc 0
15 mol 60 unq 1 iso 0 dist 6.43294 6.65595 10.6819 4.32336 7.77255 10.3081 numMergedOcc 0
16 mol 60 unq 2 iso 0 dist 6.43294 9.25011 11.3621 8.04342 8.43677 16.7028 numMergedOcc 0
17 mol 60 unq 3 iso 0 dist 6.43294 9.25011 11.3621 4.32336 7.77255 13.4885 numMergedOcc 0
18 mol 60 unq 4 iso 0 dist 6.43294 8.52121 5.51199 8.04342 8.43677 13.4491 numMergedOcc 0
19 mol 60 unq 5 iso 0 dist 6.43294 8.52121 5.51199 4.32336 7.77255 11.6961 numMergedOcc 0
20 mol 72 unq 0 iso 0 dist 9.96708 9.78528 8.24309 11.8198 4.69674 10.2718 numMergedOcc 0
21 mol 73 unq 0 iso 0 dist 8.70481 9.96396 14.9342 10.169 5.62694 17.3112 numMergedOcc 0
22 mol 73 unq 1 iso 0 dist 8.70481 6.19304 13.3558 10.169 5.62694 15.7282 numMergedOcc 0
23 mol 85 unq 0 iso 0 dist 7.97049 6.19965 5.42586 5.46695 8.77199 8.81824 numMergedOcc 0
24 mol 85 unq 1 iso 0 dist 7.47541 7.66905 5.42586 11.3211 8.77199 8.81824 numMergedOcc 0
25 mol 85 unq 2 iso 0 dist 7.47541 5.73196 6.87425 11.3211 8.77199 13.821 numMergedOcc 0
26 mol 85 unq 3 iso 0 dist 6.19965 7.97049 5.42586 5.46695 8.81824 8.77199 numMergedOcc 0
27 mol 85 unq 4 iso 0 dist 7.66905 7.47541 5.42586 11.3211 8.81824 8.77199 numMergedOcc 0
28 mol 85 unq 5 iso 0 dist 7.66905 5.73196 10.1164 11.3211 8.81824 13.821 numMergedOcc 0
29 mol 95 unq 0 iso 0 dist 7.2658 9.01083 5.53837 7.85262 8.82395 11.1905 numMergedOcc 0
30 mol 95 unq 1 iso 0 dist 7.27724 8.03644 8.41707 14.2706 8.69749 16.0612 numMergedOcc 0
31 mol 95 unq 2 iso 0 dist 7.27724 8.03644 8.41707 11.0946 5.96576 14.145 numMergedOcc 0
32 mol 100 unq 0 iso 0 dist 7.17106 9.60661 11.5403 8.07597 7.98814 15.4133 numMergedOcc 0
33 mol 100 unq 1 iso 0 dist 7.17106 9.35224 8.87654 8.07597 7.98814 15.5327 numMergedOcc 0
34 mol 109 unq 0 iso 0 dist 7.34473 8.58044 7 6.62208 8.43667 13.4519 numMergedOcc 0
35 mol 109 unq 1 iso 0 dist 7.34473 9.97763 8.40993 6.62208 8.43667 14.2582 numMergedOcc 0
36 mol 120 unq 0 iso 0 dist 6.44653 8.75408 5.23036 4.98499 8.1671 12.259 numMergedOcc 0
37 mol 133 unq 0 iso 0 dist 6.80239 6.29155 7.81217 5.58281 8.75049 10.6168 numMergedOcc 0
38 mol 133 unq 1 iso 0 dist 6.80239 8.00618 7.79672 5.58281 8.75049 10.6275 numMergedOcc 0
39 mol 152 unq 0 iso 0 dist 5.87555 8.87437 5.49936 8.18329 8.86966 5.7527 numMergedOcc 0
40 mol 152 unq 1 iso 0 dist 8.87437 5.87555 5.49936 8.18329 5.7527 8.86966 numMergedOcc 0
41 mol 152 unq 2 iso 0 dist 6.70283 8.56324 7.65448 5.97115 8.86966 13.4958 numMergedOcc 0
42 mol 152 unq 3 iso 0 dist 6.70283 7.16148 5.49936 5.97115 8.86966 5.7527 numMergedOcc 0
43 mol 152 unq 4 iso 0 dist 7.16148 8.56324 10.6875 5.97115 5.7527 13.4958 numMergedOcc 0
44 mol 152 unq 5 iso 0 dist 7.16148 6.70283 5.49936 5.97115 5.7527 8.86966 numMergedOcc 0
45 mol 152 unq 6 iso 0 dist 8.67331 8.05741 5.49936 4.36394 8.86966 5.7527 numMergedOcc 0
46 mol 152 unq 7 iso 0 dist 8.05741 8.67331 5.49936 4.36394 5.7527 8.86966 numMergedOcc 0
47 mol 155 unq 0 iso 0 dist 6.43582 7.46303 7.66392 4.47054 6.89245 10.3868 numMergedOcc 0
48 mol 156 unq 0 iso 0 dist 7.66148 8.94056 10.1658 4.09911 8.6851 12.3863 numMergedOcc 0
49 mol 178 unq 0 iso 0 dist 6.69288 6.43573 5.34677 4.43082 8.4173 9.70181 numMergedOcc 0
50 mol 178 unq 1 iso 0 dist 6.69288 7.17202 11.7381 4.43082 8.4173 6.55543 numMergedOcc 0
51 mol 178 unq 2 iso 0 dist 6.69288 8.81551 14.0703 4.43082 8.4173 10.2965 numMergedOcc 0
52 mol 178 unq 3 iso 0 dist 7.17202 6.69288 11.7381 4.43082 6.55543 8.4173 numMergedOcc 0
53 mol 178 unq 4 iso 0 dist 7.17202 6.43573 9.89739 4.43082 6.55543 9.70181 numMergedOcc 0
54 mol 178 unq 5 iso 0 dist 7.17202 8.81551 5.18005 4.43082 6.55543 10.2965 numMergedOcc 0
55 mol 186 unq 0 iso 0 dist 9.70748 7.54065 13.8792 6.61139 9.28036 12.2442 numMergedOcc 0
56 mol 186 unq 1 iso 0 dist 9.70748 8.87694 14.9058 6.61139 9.28036 10.3718 numMergedOcc 0
57 mol 186 unq 2 iso 0 dist 8.87694 9.09754 9.50685 9.6018 9.83935 15.1388 numMergedOcc 0
58 mol 192 unq 0 iso 0 dist 5.59424 7.00794 5.76246 10.375 8.63044 14.2991 numMergedOcc 0
59 mol 206 unq 0 iso 0 dist 7.7366 9.774 5.63422 8.77621 9.73419 6.11803 numMergedOcc 0
60 mol 206 unq 1 iso 0 dist 7.7366 9.774 5.63422 10.2691 9.99824 13.6535 numMergedOcc 0
61 mol 206 unq 2 iso 0 dist 9.774 7.7366 5.63422 8.77621 6.11803 9.73419 numMergedOcc 0
62 mol 224 unq 0 iso 0 dist 6.61986 9.40098 9.54151 4.32714 7.80754 11.7286 numMergedOcc 0
63 mol 224 unq 1 iso 0 dist 6.61986 9.40098 9.54151 8.95149 8.20295 12.3058 numMergedOcc 0
64 mol 227 unq 0 iso 0 dist 7.09863 7.22101 4.39704 6.16261 6.40086 9.68793 numMergedOcc 0
65 mol 231 unq 0 iso 0 dist 7.37839 8.40182 4.06055 6.58152 7.31553 10.1674 numMergedOcc 0
66 mol 249 unq 0 iso 0 dist 6.18582 7.57994 5.01979 5.40456 7.27415 10.3622 numMergedOcc 0
67 mol 252 unq 0 iso 0 dist 8.33025 8.1148 6.0987 12.9824 6.38733 10.5963 numMergedOcc 0
68 mol 252 unq 1 iso 0 dist 8.33025 8.1148 6.0987 15.2956 9.64349 14.1962 numMergedOcc 0
69 mol 252 unq 2 iso 0 dist 9.2288 8.1715 6.0987 9.78504 6.38733 10.5963 numMergedOcc 0
70 mol 252 unq 3 iso 0 dist 9.2288 8.1715 6.0987 11.8272 9.64349 14.1962 numMergedOcc 0
71 mol 252 unq 4 iso 0 dist 7.19638 8.33025 14.9102 6.56535 7.48298 14.2794 numMergedOcc 0
72 mol 252 unq 5 iso 0 dist 7.19638 8.33025 14.9102 4.51829 8.9483 10.8005 numMergedOcc 0
73 mol 252 unq 6 iso 0 dist 7.19638 9.2288 11.7918 6.56535 7.48298 15.4631 numMergedOcc 0
74 mol 252 unq 7 iso 0 dist 7.19638 9.2288 11.7918 4.51829 8.9483 13.4944 numMergedOcc 0
75 mol 253 unq 0 iso 0 dist 8.31064 6.73034 8.02948 10.8347 9.29422 15.1393 numMergedOcc 0
76 mol 261 unq 0 iso 0 dist 9.14619 8.45658 7.00201 15.4874 9.00426 14.9571 numMergedOcc 0
77 mol 261 unq 1 iso 0 dist 9.14619 8.45658 7.00201 13.3429 8.19348 12.6716 numMergedOcc 0
78 mol 264 unq 0 iso 0 dist 6.24356 9.361 10.3202 14.5632 8.48407 15.0114 numMergedOcc 0
