0 mol 33 unq 0 iso 0 dist 5.65377 9.06004 3.82411 4.24935 8.66089 11.3783 numMergedOcc 0
1 mol 33 unq 1 iso 0 dist 5.65377 9.06004 3.82411 7.00849 6.9181 8.00427 numMergedOcc 0
2 mol 33 unq 2 iso 0 dist 5.65377 9.06004 3.82411 9.8286 5.84349 4.64187 numMergedOcc 0
3 mol 33 unq 3 iso 0 dist 5.65377 9.34266 4.28598 4.24935 8.66089 12.8415 numMergedOcc 0
4 mol 33 unq 4 iso 0 dist 5.65377 9.34266 4.28598 7.00849 6.9181 10.9195 numMergedOcc 0
5 mol 33 unq 5 iso 0 dist 5.65377 9.34266 4.28598 9.8286 5.84349 7.95437 numMergedOcc 0
6 mol 53 unq 0 iso 0 dist 6.22911 7.77212 5.86778 10.4416 6.6473 12.2058 numMergedOcc 0
7 mol 53 unq 1 iso 0 dist 6.76484 9.72637 9.25439 9.05584 6.6473 13.4286 numMergedOcc 0
8 mol 62 unq 0 iso 0 dist 6.69386 6.42645 10.4041 8.56267 9.51893 7.16844 numMergedOcc 0
9 mol 62 unq 1 iso 0 dist 6.69386 6.42645 10.4041 7.34856 8.47221 9.24339 numMergedOcc 0
10 mol 91 unq 0 iso 0 dist 9.19143 8.66819 9.46631 5.92311 6.64714 7.71625 numMergedOcc 0
11 mol 91 unq 1 iso 0 dist 9.23907 8.47126 9.46631 10.4112 6.64714 7.71625 numMergedOcc 0
12 mol 112 unq 0 iso 0 dist 7.59407 7.87345 10.207 6.00039 5.80831 9.24706 numMergedOcc 0
13 mol 112 unq 1 iso 0 dist 7.59407 9.01196 4.52589 6.00039 5.80831 9.79038 numMergedOcc 0
14 mol 204 unq 0 iso 0 dist 6.13127 8.50234 7.73968 6.03168 9.04035 10.3857 numMergedOcc 0
15 mol 283 unq 0 iso 0 dist 9.72248 8.3831 6.30031 7.04425 8.106 10.0396 numMergedOcc 0
16 mol 283 unq 1 iso 0 dist 9.72248 8.44179 8.78323 7.04425 8.106 12.7688 numMergedOcc 0
17 mol 287 unq 0 iso 0 dist 7.80478 6.23874 3.76412 5.96447 9.98518 8.06767 numMergedOcc 0
18 mol 287 unq 1 iso 0 dist 7.80478 6.68956 5.39384 5.96447 9.98518 11.2304 numMergedOcc 0
19 mol 288 unq 0 iso 0 dist 7.80478 6.23874 3.76412 5.96447 9.98518 8.06767 numMergedOcc 0
20 mol 288 unq 1 iso 0 dist 7.80478 6.68956 5.39384 5.96447 9.98518 11.2304 numMergedOcc 0
21 mol 289 unq 0 iso 0 dist 7.80478 6.23874 3.76412 5.96447 9.98518 8.06767 numMergedOcc 0
22 mol 289 unq 1 iso 0 dist 7.80478 6.68956 5.39384 5.96447 9.98518 11.2304 numMergedOcc 0
