0 mol 25 unq 0 iso 0 dist 8.58806 9.58408 9.04546 8.69224 10.1446 16.6481 numMergedOcc 0
1 mol 28 unq 0 iso 0 dist 6.53312 9.04621 9.1051 5.98169 10.6136 15.0049 numMergedOcc 0
2 mol 28 unq 1 iso 0 dist 5.9948 6.75443 9.06486 6.76158 11.7233 5.61871 numMergedOcc 0
3 mol 28 unq 2 iso 0 dist 5.9948 6.75443 9.06486 7.423 13.0183 7.3517 numMergedOcc 0
4 mol 28 unq 3 iso 0 dist 5.9948 6.75443 9.06486 5.89257 10.9699 6.13016 numMergedOcc 0
5 mol 28 unq 4 iso 0 dist 5.9948 9.02508 12.9129 6.76158 11.7233 9.02992 numMergedOcc 0
6 mol 28 unq 5 iso 0 dist 5.9948 9.02508 12.9129 7.423 13.0183 6.51048 numMergedOcc 0
7 mol 28 unq 6 iso 0 dist 5.9948 9.02508 12.9129 5.89257 10.9699 4.18951 numMergedOcc 0
8 mol 28 unq 7 iso 0 dist 5.9948 8.44081 9.1051 6.76158 11.7233 13.5265 numMergedOcc 0
9 mol 28 unq 8 iso 0 dist 5.9948 8.44081 9.1051 7.423 13.0183 12.1819 numMergedOcc 0
10 mol 28 unq 9 iso 0 dist 5.9948 8.44081 9.1051 5.89257 10.9699 9.28235 numMergedOcc 0
11 mol 46 unq 0 iso 0 dist 7.19406 7.44944 8.73361 7.12713 9.83606 6.75911 numMergedOcc 0
12 mol 70 unq 0 iso 0 dist 7.83864 9.38762 4.73293 9.55065 3.50148 8.06743 numMergedOcc 0
13 mol 76 unq 0 iso 0 dist 8.99618 7.41265 5.58856 6.45955 9.93156 5.31518 numMergedOcc 0
14 mol 76 unq 1 iso 0 dist 9.0101 9.47924 15.1383 8.26805 9.68005 7.24635 numMergedOcc 0
15 mol 76 unq 2 iso 0 dist 9.0101 9.47924 15.1383 9.68577 14.6547 8.05782 numMergedOcc 0
16 mol 79 unq 0 iso 0 dist 9.71591 7.15006 6.13346 9.94133 6.08409 5.11766 numMergedOcc 0
17 mol 98 unq 0 iso 0 dist 4.3761 3.90209 8.19607 5.61418 9.39313 4.65764 numMergedOcc 0
18 mol 98 unq 1 iso 0 dist 5.84583 3.90209 4.67787 5.61418 6.66668 4.65764 numMergedOcc 0
19 mol 119 unq 0 iso 0 dist 4.90449 8.06422 7.49885 6.3646 3.80816 9.26859 numMergedOcc 0
20 mol 131 unq 0 iso 0 dist 9.87066 8.91629 10.1507 9.77654 5.57327 5.29427 numMergedOcc 0
21 mol 171 unq 0 iso 0 dist 7.7195 6.01062 9.44471 6.80203 11.244 6.06037 numMergedOcc 0
22 mol 171 unq 1 iso 0 dist 7.7195 8.63202 12.1824 6.80203 11.244 6.65338 numMergedOcc 0
23 mol 171 unq 2 iso 0 dist 9.43988 6.01062 10.1365 6.80203 5.58661 6.06037 numMergedOcc 0
24 mol 171 unq 3 iso 0 dist 9.43988 8.63202 7.47696 6.80203 5.58661 6.65338 numMergedOcc 0
25 mol 171 unq 4 iso 0 dist 8.30819 4.46397 12.1824 8.00826 11.244 6.65338 numMergedOcc 0
26 mol 187 unq 0 iso 0 dist 8.45366 9.59166 9.56476 8.26077 3.86201 6.11147 numMergedOcc 0
27 mol 220 unq 0 iso 0 dist 9.22999 6.99973 9.87475 9.54857 3.95588 10.9463 numMergedOcc 0
28 mol 220 unq 1 iso 0 dist 9.22999 6.99973 9.87475 8.73456 5.73222 8.94743 numMergedOcc 0
29 mol 292 unq 0 iso 0 dist 6.38051 8.85233 5.43452 4.97488 5.55248 9.95731 numMergedOcc 0
30 mol 292 unq 1 iso 0 dist 6.38051 7.06322 8.10713 4.97488 5.55248 3.77627 numMergedOcc 0
