0 mol 7 unq 0 iso 0 dist 9.20552 9.81211 5.51421 14.3372 6.8464 6.769 numMergedOcc 0
1 mol 43 unq 0 iso 0 dist 8.06275 6.41579 8.38387 9.83489 8.03754 4.99287 numMergedOcc 0
2 mol 43 unq 1 iso 0 dist 8.90024 14.9559 8.38387 14.6778 8.03754 4.99287 numMergedOcc 0
3 mol 69 unq 0 iso 0 dist 8.27307 5.10938 5.47319 7.18248 7.25721 4.2124 numMergedOcc 0
4 mol 109 unq 0 iso 0 dist 9.26438 9.97562 8.3164 16.2476 9.41191 12.6973 numMergedOcc 0
5 mol 109 unq 1 iso 0 dist 6.43255 13.5611 8.3164 9.88245 9.41191 12.6973 numMergedOcc 0
6 mol 109 unq 2 iso 0 dist 7.4389 13.6781 8.3164 4.83143 9.41191 12.6973 numMergedOcc 0
7 mol 122 unq 0 iso 0 dist 8.47907 5.08302 9.40018 14.9119 8.75778 13.7131 numMergedOcc 0
8 mol 122 unq 1 iso 0 dist 8.47907 11.2519 6.78949 14.9119 8.75778 4.24711 numMergedOcc 0
9 mol 133 unq 0 iso 0 dist 8.66715 13.3005 9.50322 16.6927 9.1146 15.9933 numMergedOcc 0
10 mol 133 unq 1 iso 0 dist 8.95433 15.4773 9.50322 4.42593 9.1146 15.9933 numMergedOcc 0
11 mol 134 unq 0 iso 0 dist 8.84656 18.3189 9.60411 15.0514 6.48328 5.73962 numMergedOcc 0
12 mol 152 unq 0 iso 0 dist 8.34839 6.11789 8.07256 8.6893 8.41774 4.81561 numMergedOcc 0
13 mol 154 unq 0 iso 0 dist 7.34207 9.95968 6.23399 6.84292 6.36439 3.82471 numMergedOcc 0
14 mol 159 unq 0 iso 0 dist 9.9971 9.63441 4.91784 6.67186 6.25034 5.09994 numMergedOcc 0
15 mol 163 unq 0 iso 0 dist 7.75045 4.49316 9.63873 6.56395 8.32426 9.20952 numMergedOcc 0
16 mol 167 unq 0 iso 0 dist 6.53913 4.88159 5.59806 13.5763 9.23645 9.13316 numMergedOcc 0
17 mol 176 unq 0 iso 0 dist 8.78509 13.7707 7.30954 11.4726 8.02366 14.7871 numMergedOcc 0
18 mol 187 unq 0 iso 0 dist 9.38169 10.2744 9.36086 9.61673 6.82787 10.7172 numMergedOcc 0
19 mol 197 unq 0 iso 0 dist 6.18446 10.0696 8.3337 4.80458 8.67786 14.6381 numMergedOcc 0
20 mol 226 unq 0 iso 0 dist 9.86096 7.25159 7.117 5.77227 5.90092 4.00573 numMergedOcc 0
21 mol 236 unq 0 iso 0 dist 8.95071 9.48296 5.66569 5.81446 5.90804 4.60599 numMergedOcc 0
22 mol 236 unq 1 iso 0 dist 8.95071 5.05085 6.11137 5.81446 5.90804 4.24722 numMergedOcc 0
23 mol 277 unq 0 iso 0 dist 7.23956 12.7088 9.29635 10.2688 4.81916 12.5633 numMergedOcc 0
24 mol 287 unq 0 iso 0 dist 7.95849 8.55612 9.53313 5.51191 9.32175 8.80315 numMergedOcc 0
25 mol 287 unq 1 iso 0 dist 7.95849 4.91435 7.26542 5.51191 9.32175 6.53276 numMergedOcc 0
26 mol 288 unq 0 iso 0 dist 7.95849 8.55612 9.53313 5.51191 9.32175 8.80315 numMergedOcc 0
27 mol 288 unq 1 iso 0 dist 7.95849 4.91435 7.26542 5.51191 9.32175 6.53276 numMergedOcc 0
28 mol 289 unq 0 iso 0 dist 7.95849 8.55612 9.53313 5.51191 9.32175 8.80315 numMergedOcc 0
29 mol 289 unq 1 iso 0 dist 7.95849 4.91435 7.26542 5.51191 9.32175 6.53276 numMergedOcc 0
