0 mol 48 unq 0 iso 0 dist 9.14072 9.90363 5.06188 11.6966 4.6365 8.89758 numMergedOcc 0
1 mol 53 unq 0 iso 0 dist 9.09831 6.76039 6.70095 11.9999 7.7232 8.94173 numMergedOcc 0
2 mol 64 unq 0 iso 0 dist 9.82294 7.89444 5.66803 8.99491 5.9853 5.54343 numMergedOcc 0
3 mol 64 unq 1 iso 0 dist 9.82294 18.0124 8.85416 13.8335 6.43864 9.99634 numMergedOcc 0
4 mol 69 unq 0 iso 0 dist 7.00234 5.57378 7.03224 12.0624 5.59952 9.68285 numMergedOcc 0
5 mol 69 unq 1 iso 0 dist 7.00234 5.57378 7.03224 8.91902 4.33228 8.31114 numMergedOcc 0
6 mol 69 unq 2 iso 0 dist 7.30652 10.3741 7.03224 11.8398 5.59952 9.68285 numMergedOcc 0
7 mol 69 unq 3 iso 0 dist 7.30652 10.3741 7.03224 11.3547 4.33228 8.31114 numMergedOcc 0
8 mol 76 unq 0 iso 0 dist 8.92491 14.685 7.48127 18.1208 10.6009 4.83274 numMergedOcc 0
9 mol 76 unq 1 iso 0 dist 7.41861 4.00834 7.48127 6.4551 10.6009 4.83274 numMergedOcc 0
10 mol 114 unq 0 iso 0 dist 8.79677 11.5575 6.54778 13.0299 5.0333 5.97879 numMergedOcc 0
11 mol 133 unq 0 iso 0 dist 6.9268 15.4372 8.76088 14.6914 8.99025 8.96061 numMergedOcc 0
12 mol 133 unq 1 iso 0 dist 9.56319 14.3149 8.8353 23.8141 16.1558 9.89098 numMergedOcc 0
13 mol 133 unq 2 iso 0 dist 9.73038 17.9749 8.8353 25.2113 16.1558 9.89098 numMergedOcc 0
14 mol 133 unq 3 iso 0 dist 8.19166 14.3705 8.76088 16.6225 8.99025 8.96061 numMergedOcc 0
15 mol 159 unq 0 iso 0 dist 8.20121 10.242 6.86212 4.91784 5.10423 8.55431 numMergedOcc 0
16 mol 159 unq 1 iso 0 dist 7.52779 10.242 9.9368 4.91784 7.18851 8.55431 numMergedOcc 0
17 mol 162 unq 0 iso 0 dist 9.74749 5.55488 7.30751 12.6002 7.87851 8.15223 numMergedOcc 0
18 mol 167 unq 0 iso 0 dist 6.28957 5.44954 7.20545 8.43038 4.70374 8.58946 numMergedOcc 0
19 mol 167 unq 1 iso 0 dist 7.34285 9.15105 7.20545 9.87966 4.70374 8.58946 numMergedOcc 0
20 mol 175 unq 0 iso 0 dist 8.57666 10.4645 7.03107 11.3098 4.51101 6.6776 numMergedOcc 0
21 mol 186 unq 0 iso 0 dist 6.36789 12.6035 6.72718 10.799 5.25279 6.99623 numMergedOcc 0
22 mol 189 unq 0 iso 0 dist 9.01418 4.79488 6.38294 12.6965 6.35993 8.57361 numMergedOcc 0
23 mol 205 unq 0 iso 0 dist 8.47833 11.2438 6.43519 12.1752 7.78052 6.57849 numMergedOcc 0
24 mol 205 unq 1 iso 0 dist 5.47586 7.47443 6.43519 8.10287 7.78052 6.57849 numMergedOcc 0
25 mol 214 unq 0 iso 0 dist 7.08083 6.46773 4.36421 13.9215 7.98893 7.77535 numMergedOcc 0
26 mol 217 unq 0 iso 0 dist 9.82478 7.95492 7.60302 16.0337 8.92136 9.90668 numMergedOcc 0
27 mol 217 unq 1 iso 0 dist 7.80898 4.10975 7.60302 13.0482 8.92136 9.90668 numMergedOcc 0
28 mol 230 unq 0 iso 0 dist 5.19913 6.28086 9.24729 11.3536 12.2372 8.33847 numMergedOcc 0
29 mol 236 unq 0 iso 0 dist 9.51001 11.094 4.71683 13.3367 7.41812 6.73134 numMergedOcc 0
30 mol 258 unq 0 iso 0 dist 8.17026 6.30651 5.53369 11.7427 5.49492 8.55181 numMergedOcc 0
31 mol 258 unq 1 iso 0 dist 8.43002 6.30651 8.57274 11.7427 5.80854 8.55181 numMergedOcc 0
