0 mol 33 unq 0 iso 0 dist 5.65377 9.8286 5.84349 9.06004 3.82411 4.64187 numMergedOcc 0
1 mol 33 unq 1 iso 0 dist 5.65377 9.8286 5.84349 9.34266 4.28598 7.95437 numMergedOcc 0
2 mol 62 unq 0 iso 0 dist 6.69386 8.56267 9.51893 6.42645 10.4041 7.16844 numMergedOcc 0
3 mol 85 unq 0 iso 0 dist 9.24862 10.6271 6.24296 11.6326 3.81285 4.29937 numMergedOcc 0
4 mol 85 unq 1 iso 0 dist 9.24862 10.6271 6.24296 13.4218 6.17121 5.37869 numMergedOcc 0
5 mol 85 unq 2 iso 0 dist 9.24862 13.7977 6.83218 11.6326 3.81285 3.65628 numMergedOcc 0
6 mol 85 unq 3 iso 0 dist 9.24862 13.7977 6.83218 13.4218 6.17121 4.05415 numMergedOcc 0
7 mol 91 unq 0 iso 0 dist 9.19143 5.92311 6.64714 8.66819 9.46631 7.71625 numMergedOcc 0
8 mol 91 unq 1 iso 0 dist 9.23907 10.4112 6.64714 8.47126 9.46631 7.71625 numMergedOcc 0
9 mol 93 unq 0 iso 0 dist 7.76517 16.5528 9.43355 20.9723 13.6305 6.67678 numMergedOcc 0
10 mol 93 unq 1 iso 0 dist 7.76517 16.5528 9.43355 21.7916 14.1431 7.24956 numMergedOcc 0
11 mol 93 unq 2 iso 0 dist 7.76517 16.5528 9.43355 10.4724 3.99275 8.28591 numMergedOcc 0
12 mol 93 unq 3 iso 0 dist 7.76517 16.5528 9.43355 13.3681 6.46195 9.40687 numMergedOcc 0
13 mol 93 unq 4 iso 0 dist 7.76517 11.6928 5.64141 10.4724 3.99275 5.35008 numMergedOcc 0
14 mol 93 unq 5 iso 0 dist 7.76517 11.6928 5.64141 13.3681 6.46195 8.84576 numMergedOcc 0
15 mol 93 unq 6 iso 0 dist 7.76517 8.79773 5.46186 10.4724 3.99275 8.30921 numMergedOcc 0
16 mol 93 unq 7 iso 0 dist 7.76517 8.79773 5.46186 13.3681 6.46195 7.39732 numMergedOcc 0
17 mol 93 unq 8 iso 0 dist 7.76517 8.79773 5.46186 15.4579 10.4525 9.67744 numMergedOcc 0
18 mol 123 unq 0 iso 0 dist 9.61215 14.2421 6.49766 10.1093 3.61945 4.14492 numMergedOcc 0
19 mol 287 unq 0 iso 0 dist 7.80478 5.96447 9.98518 6.23874 3.76412 8.06767 numMergedOcc 0
20 mol 287 unq 1 iso 0 dist 9.22409 16.1319 9.98518 12.0421 3.76412 8.06767 numMergedOcc 0
21 mol 288 unq 0 iso 0 dist 7.80478 5.96447 9.98518 6.23874 3.76412 8.06767 numMergedOcc 0
22 mol 288 unq 1 iso 0 dist 9.22409 16.1319 9.98518 12.0421 3.76412 8.06767 numMergedOcc 0
23 mol 289 unq 0 iso 0 dist 7.80478 5.96447 9.98518 6.23874 3.76412 8.06767 numMergedOcc 0
24 mol 289 unq 1 iso 0 dist 9.22409 16.1319 9.98518 12.0421 3.76412 8.06767 numMergedOcc 0
25 mol 292 unq 0 iso 0 dist 7.78353 15.0419 9.18386 16.6446 9.45033 9.56933 numMergedOcc 0
