0 mol 27 unq 0 iso 0 dist 5.66743 9.49066 9.52474 11.6846 7.60283 7.50515 16.9354 13.4461 10.757 6.78936 numMergedOcc 0
1 mol 27 unq 1 iso 0 dist 7.42669 4.91484 9.52474 8.05284 7.60283 7.50515 11.0223 13.4461 10.757 6.78936 numMergedOcc 0
2 mol 58 unq 0 iso 0 dist 5.84625 5.40367 8.80614 10.3974 7.6481 13.9007 11.0988 5.45005 12.8149 8.13051 numMergedOcc 0
3 mol 62 unq 0 iso 0 dist 8.2746 4.47138 7.56205 12.1095 6.04903 11.7069 10.8449 4.09232 9.69044 9.1062 numMergedOcc 0
4 mol 62 unq 1 iso 0 dist 8.2746 10.9596 4.74544 12.1095 6.04903 5.49555 10.8449 4.09232 6.9103 9.1062 numMergedOcc 0
5 mol 98 unq 0 iso 0 dist 5.94696 12.4265 6.7117 9.47873 6.0129 8.70415 5.08983 3.92737 9.81956 4.44979 numMergedOcc 0
6 mol 98 unq 1 iso 0 dist 5.94696 12.4265 6.7117 9.47873 6.0129 8.70415 9.58039 3.94967 5.10496 6.61111 numMergedOcc 0
7 mol 98 unq 2 iso 0 dist 5.94696 7.1452 4.47349 9.47873 6.0129 10.0962 5.08983 3.92737 7.54889 4.44979 numMergedOcc 0
8 mol 98 unq 3 iso 0 dist 5.94696 7.1452 4.47349 9.47873 6.0129 10.0962 9.58039 3.94967 5.2571 6.61111 numMergedOcc 0
9 mol 98 unq 4 iso 0 dist 5.94696 4.96747 5.65185 9.47873 6.0129 11.2452 5.08983 3.92737 7.78931 4.44979 numMergedOcc 0
10 mol 98 unq 5 iso 0 dist 5.94696 4.96747 5.65185 9.47873 6.0129 11.2452 9.58039 3.94967 8.7497 6.61111 numMergedOcc 0
11 mol 114 unq 0 iso 0 dist 8.96382 8.14567 6.84011 4.7832 5.79343 8.88748 9.87348 4.08391 10.2365 5.51885 numMergedOcc 0
12 mol 126 unq 0 iso 0 dist 8.97111 4.84035 6.30546 4.56139 7.36017 7.01257 11.2195 3.9234 8.96947 8.7789 numMergedOcc 0
13 mol 126 unq 1 iso 0 dist 8.97111 4.84035 6.30546 4.56139 7.36017 7.01257 12.9831 5.50104 11.4624 9.93613 numMergedOcc 0
14 mol 133 unq 0 iso 0 dist 6.16862 12.7925 9.22232 4.49984 8.21165 12.0863 12.3021 12.3375 12.5855 8.55349 numMergedOcc 0
15 mol 133 unq 1 iso 0 dist 9.70325 15.4258 9.22232 6.16425 8.21165 12.0863 14.6844 12.3375 12.5855 8.55349 numMergedOcc 0
16 mol 133 unq 2 iso 0 dist 6.42904 6.26797 9.22661 5.80615 6.51868 4.68409 13.5061 10.0161 13.5288 9.10003 numMergedOcc 0
17 mol 133 unq 3 iso 0 dist 7.31633 5.36939 7.56378 6.2062 7.34698 4.68409 11.9149 11.7838 13.5288 9.10003 numMergedOcc 0
18 mol 167 unq 0 iso 0 dist 9.14629 7.91498 9.67741 4.0737 7.80054 6.36909 11.1687 5.43662 7.20495 9.1326 numMergedOcc 0
19 mol 167 unq 1 iso 0 dist 9.14629 7.91498 9.67741 4.0737 7.80054 6.36909 6.48993 5.95858 7.02548 7.30954 numMergedOcc 0
20 mol 168 unq 0 iso 0 dist 8.90876 12.1014 7.44629 6.39941 7.60254 8.67522 7.30338 4.02702 6.02086 7.06851 numMergedOcc 0
21 mol 243 unq 0 iso 0 dist 8.55613 11.7757 7.49645 10.4928 7.12785 5.70464 16.957 10.1372 12.3379 9.33476 numMergedOcc 0
22 mol 243 unq 1 iso 0 dist 8.55613 11.9474 9.9222 10.4928 7.12785 10.3961 16.957 10.1372 17.256 9.33476 numMergedOcc 0
23 mol 287 unq 0 iso 0 dist 7.76945 5.25853 8.91712 4.26276 5.59555 4.62998 10.251 5.97664 13.0848 8.59762 numMergedOcc 0
24 mol 287 unq 1 iso 0 dist 7.76945 7.19628 9.65934 4.26276 5.59555 7.23534 10.251 5.97664 7.45616 8.59762 numMergedOcc 0
25 mol 288 unq 0 iso 0 dist 7.76945 5.25853 8.91712 4.26276 5.59555 4.62998 10.251 5.97664 13.0848 8.59762 numMergedOcc 0
26 mol 288 unq 1 iso 0 dist 7.76945 7.19628 9.65934 4.26276 5.59555 7.23534 10.251 5.97664 7.45616 8.59762 numMergedOcc 0
27 mol 289 unq 0 iso 0 dist 7.76945 5.25853 8.91712 4.26276 5.59555 4.62998 10.251 5.97664 13.0848 8.59762 numMergedOcc 0
28 mol 289 unq 1 iso 0 dist 7.76945 7.19628 9.65934 4.26276 5.59555 7.23534 10.251 5.97664 7.45616 8.59762 numMergedOcc 0
29 mol 292 unq 0 iso 0 dist 6.60049 6.94727 9.88863 7.69175 5.7131 5.98906 7.78796 3.92782 9.74118 6.1905 numMergedOcc 0
30 mol 292 unq 1 iso 0 dist 6.60049 6.94727 9.88863 7.69175 5.7131 5.98906 11.3673 5.93687 11.3379 5.84792 numMergedOcc 0
31 mol 292 unq 2 iso 0 dist 6.60049 6.94727 9.88863 7.69175 5.7131 5.98906 14.9066 9.40023 14.1177 8.73515 numMergedOcc 0
