0 mol 7 unq 0 iso 0 dist 9.19844 5.38502 7.5706 6.72215 10.5551 9.60499 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 9.19844 7.39982 6.28925 15.2879 10.6847 8.41585 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 9.19844 17.8838 8.70159 12.8863 4.87279 7.10621 numMergedOcc 0
3 mol 52 unq 0 iso 0 dist 6.56768 6.55558 5.75761 11.8328 6.55615 9.80098 numMergedOcc 0
4 mol 52 unq 1 iso 0 dist 6.56768 6.55558 5.75761 9.90304 9.64358 7.34143 numMergedOcc 0
5 mol 54 unq 0 iso 0 dist 9.75003 16.7397 7.56581 12.134 8.17454 9.5589 numMergedOcc 0
6 mol 54 unq 1 iso 0 dist 9.75003 17.2265 9.22021 12.134 8.17454 6.83299 numMergedOcc 0
7 mol 54 unq 2 iso 0 dist 6.95846 11.9881 7.56581 6.59893 8.17454 9.5589 numMergedOcc 0
8 mol 54 unq 3 iso 0 dist 6.95846 10.3564 9.22021 6.59893 8.17454 6.83299 numMergedOcc 0
9 mol 59 unq 0 iso 0 dist 8.91274 6.34264 8.49118 6.48625 5.64744 7.17396 numMergedOcc 0
10 mol 73 unq 0 iso 0 dist 8.91833 8.31041 9.33919 7.26679 7.9151 9.96396 numMergedOcc 0
11 mol 73 unq 1 iso 0 dist 8.91833 8.31041 9.33919 9.30776 5.44172 9.75218 numMergedOcc 0
12 mol 73 unq 2 iso 0 dist 8.91833 8.31041 9.33919 9.68526 15.9091 9.38498 numMergedOcc 0
13 mol 73 unq 3 iso 0 dist 8.91833 5.44275 9.79143 7.26679 7.9151 6.19304 numMergedOcc 0
14 mol 73 unq 4 iso 0 dist 8.91833 11.2674 6.43377 7.26679 7.9151 8.70481 numMergedOcc 0
15 mol 88 unq 0 iso 0 dist 8.95194 6.07226 6.066 14.6182 6.81076 9.36773 numMergedOcc 0
16 mol 88 unq 1 iso 0 dist 8.95194 11.3835 9.36032 14.6182 6.81076 8.31336 numMergedOcc 0
17 mol 119 unq 0 iso 0 dist 8.82502 6.83988 9.70093 12.1173 10.6133 6.18601 numMergedOcc 0
18 mol 119 unq 1 iso 0 dist 8.82502 12.1168 6.69217 19.2707 11.3981 8.73993 numMergedOcc 0
19 mol 127 unq 0 iso 0 dist 6.99723 9.75166 5.72373 12.4824 10.2773 8.14887 numMergedOcc 0
20 mol 127 unq 1 iso 0 dist 6.99723 9.75166 5.72373 8.40046 10.7123 9.30299 numMergedOcc 0
21 mol 175 unq 0 iso 0 dist 7.59434 5.96451 6.95549 9.00898 5.32538 9.29945 numMergedOcc 0
22 mol 175 unq 1 iso 0 dist 8.09125 13.2027 6.95549 11.4946 5.32538 9.29945 numMergedOcc 0
23 mol 178 unq 0 iso 0 dist 9.77739 5.9892 7.12045 12.6188 6.39077 7.17202 numMergedOcc 0
24 mol 178 unq 1 iso 0 dist 9.77739 8.88181 8.94945 12.6188 6.39077 8.81551 numMergedOcc 0
25 mol 230 unq 0 iso 0 dist 7.63624 6.87235 5.31963 11.1105 4.98428 6.7547 numMergedOcc 0
26 mol 230 unq 1 iso 0 dist 9.95611 9.94041 5.31963 14.5397 4.98428 6.7547 numMergedOcc 0
27 mol 234 unq 0 iso 0 dist 9.71144 4.74041 7.72403 10.6962 10.3378 8.34494 numMergedOcc 0
28 mol 234 unq 1 iso 0 dist 9.71144 4.74041 7.72403 5.89084 8.83842 6.56247 numMergedOcc 0
29 mol 234 unq 2 iso 0 dist 9.71144 4.74041 7.72403 8.47009 5.43327 9.36357 numMergedOcc 0
30 mol 234 unq 3 iso 0 dist 9.71144 6.16697 6.35438 5.89084 8.83842 9.45496 numMergedOcc 0
31 mol 234 unq 4 iso 0 dist 9.71144 6.16697 6.35438 8.47009 5.43327 6.7625 numMergedOcc 0
32 mol 234 unq 5 iso 0 dist 7.87975 4.93539 7.27632 10.9041 10.6728 8.41436 numMergedOcc 0
33 mol 234 unq 6 iso 0 dist 7.87975 4.93539 7.27632 11.598 5.3919 8.92474 numMergedOcc 0
34 mol 239 unq 0 iso 0 dist 7.84904 5.29737 5.45139 6.37342 4.86449 6.16342 numMergedOcc 0
35 mol 248 unq 0 iso 0 dist 6.43336 10.9137 9.12664 10.9928 5.41499 7.21521 numMergedOcc 0
36 mol 248 unq 1 iso 0 dist 6.43336 5.35181 6.51383 10.9928 5.41499 8.2965 numMergedOcc 0
37 mol 256 unq 0 iso 0 dist 6.5266 9.07441 9.72168 14.2736 12.0476 8.29103 numMergedOcc 0
38 mol 273 unq 0 iso 0 dist 7.14243 7.52275 9.82018 12.4988 11.528 9.01049 numMergedOcc 0
