0 mol 46 unq 0 iso 0 dist 9.47718 9.31292 14.7198 14.0277 9.98353 22.3206 numMergedOcc 0
1 mol 79 unq 0 iso 0 dist 7.74131 7.68781 10.0733 9.0655 8.71103 12.9202 numMergedOcc 0
2 mol 103 unq 0 iso 0 dist 9.57953 8.1375 4.36597 15.362 9.81273 13.595 numMergedOcc 0
3 mol 103 unq 1 iso 0 dist 9.57953 8.1375 4.36597 5.42278 6.67575 7.57822 numMergedOcc 0
4 mol 129 unq 0 iso 0 dist 9.0455 7.13958 5.0466 4.99299 8.63018 7.07421 numMergedOcc 0
5 mol 133 unq 0 iso 0 dist 7.12336 4.69402 6.49614 12.4479 6.23615 11.4657 numMergedOcc 0
6 mol 133 unq 1 iso 0 dist 8.64946 9.96416 12.9286 5.80658 5.68599 14.2037 numMergedOcc 0
7 mol 133 unq 2 iso 0 dist 8.64946 7.17051 5.57746 5.80658 5.68599 5.12189 numMergedOcc 0
8 mol 133 unq 3 iso 0 dist 8.64946 5.9962 9.5993 5.80658 5.68599 9.428 numMergedOcc 0
9 mol 163 unq 0 iso 0 dist 7.7264 9.21584 8.77547 7.58974 9.82925 15.8644 numMergedOcc 0
10 mol 188 unq 0 iso 0 dist 9.5523 8.94864 9.44575 5.8486 8.48582 13.01 numMergedOcc 0
11 mol 188 unq 1 iso 0 dist 9.5523 8.94864 9.44575 6.75677 9.94804 11.5844 numMergedOcc 0
12 mol 192 unq 0 iso 0 dist 9.80584 8.86627 4.65303 16.1821 7.252 11.3936 numMergedOcc 0
13 mol 192 unq 1 iso 0 dist 7.95713 9.10569 4.65303 12.9121 7.252 11.3936 numMergedOcc 0
14 mol 226 unq 0 iso 0 dist 9.37229 7.54614 6.92911 9.97507 8.10096 7.20862 numMergedOcc 0
15 mol 249 unq 0 iso 0 dist 6.40339 5.96492 5.4063 5.34664 7.279 4.46389 numMergedOcc 0
16 mol 259 unq 0 iso 0 dist 7.34794 8.06908 6.92619 7.10624 7.97113 8.91916 numMergedOcc 0
17 mol 259 unq 1 iso 0 dist 7.34794 8.06908 6.92619 5.09929 5.22111 4.55368 numMergedOcc 0
18 mol 266 unq 0 iso 0 dist 5.43053 7.66705 5.01049 4.90213 3.90274 5.28417 numMergedOcc 0
19 mol 266 unq 1 iso 0 dist 5.43053 7.66705 5.01049 9.06715 7.49024 12.4971 numMergedOcc 0
