0 mol 53 unq 0 iso 0 dist 6.22911 5.94178 7.08383 6.31644 9.26043 6.98616 numMergedOcc 0
1 mol 53 unq 1 iso 0 dist 6.22911 5.94178 7.08383 12.4671 7.72123 10.4874 numMergedOcc 0
2 mol 53 unq 2 iso 0 dist 6.76484 7.23629 7.08383 11.6996 9.26043 6.98616 numMergedOcc 0
3 mol 53 unq 3 iso 0 dist 6.76484 7.23629 7.08383 8.86683 7.72123 10.4874 numMergedOcc 0
4 mol 85 unq 0 iso 0 dist 9.24862 5.12943 9.66549 6.32628 6.27877 9.40128 numMergedOcc 0
5 mol 91 unq 0 iso 0 dist 9.19143 11.301 7.62621 10.9008 8.01351 6.16048 numMergedOcc 0
6 mol 91 unq 1 iso 0 dist 9.19143 11.301 7.62621 9.6451 8.98201 14.1282 numMergedOcc 0
7 mol 91 unq 2 iso 0 dist 9.19143 11.301 7.62621 5.76563 6.4026 9.28675 numMergedOcc 0
8 mol 91 unq 3 iso 0 dist 9.23907 15.2345 7.62621 14.1047 8.01351 6.16048 numMergedOcc 0
9 mol 91 unq 4 iso 0 dist 9.23907 15.2345 7.62621 7.54043 8.98201 14.1282 numMergedOcc 0
10 mol 91 unq 5 iso 0 dist 9.23907 15.2345 7.62621 8.05785 6.4026 9.28675 numMergedOcc 0
11 mol 104 unq 0 iso 0 dist 6.12716 5.66064 7.45407 6.48717 9.0159 11.1508 numMergedOcc 0
12 mol 104 unq 1 iso 0 dist 6.12716 5.66064 7.45407 8.78204 5.46461 5.87427 numMergedOcc 0
13 mol 165 unq 0 iso 0 dist 8.54239 6.434 7.6166 4.6786 9.42821 9.15311 numMergedOcc 0
14 mol 167 unq 0 iso 0 dist 7.62006 6.01114 9.38623 4.72853 7.04009 5.44954 numMergedOcc 0
15 mol 218 unq 0 iso 0 dist 6.43416 7.26513 7.38022 6.43128 5.51354 5.55907 numMergedOcc 0
16 mol 258 unq 0 iso 0 dist 9.8256 6.19911 8.6856 9.77666 9.44669 6.30651 numMergedOcc 0
17 mol 258 unq 1 iso 0 dist 9.8256 8.37509 9.98868 9.77666 9.44669 10.8524 numMergedOcc 0
18 mol 265 unq 0 iso 0 dist 5.90175 9.37522 8.09021 11.7587 8.43749 9.91968 numMergedOcc 0
19 mol 278 unq 0 iso 0 dist 6.25295 6.9408 8.78758 5.10052 9.79758 5.1526 numMergedOcc 0
20 mol 279 unq 0 iso 0 dist 7.07268 4.0145 8.53542 4.91933 7.69328 8.91353 numMergedOcc 0
21 mol 279 unq 1 iso 0 dist 7.07268 4.0145 8.53542 8.89193 8.93979 6.05412 numMergedOcc 0
22 mol 283 unq 0 iso 0 dist 9.24924 9.63141 8.28068 12.7769 9.16563 6.27944 numMergedOcc 0
23 mol 283 unq 1 iso 0 dist 9.72248 10.2512 8.28068 10.8956 9.16563 6.27944 numMergedOcc 0
