0 mol 17 unq 0 iso 0 dist 9.62623 8.84341 14.6861 9.83585 13.4733 7.93342 numMergedOcc 0
1 mol 36 unq 0 iso 0 dist 9.0321 7.11464 4.74833 6.6055 5.06004 3.58776 numMergedOcc 0
2 mol 36 unq 1 iso 0 dist 8.88147 7.11464 12.2764 6.6055 13.8997 3.58776 numMergedOcc 0
3 mol 123 unq 0 iso 0 dist 8.57379 5.98187 6.6925 8.09329 6.33721 7.6938 numMergedOcc 0
4 mol 123 unq 1 iso 0 dist 8.57379 5.98187 6.6925 5.80266 5.79985 3.99394 numMergedOcc 0
5 mol 123 unq 2 iso 0 dist 5.87154 7.42186 11.9106 5.18305 3.00129 10.0612 numMergedOcc 0
6 mol 123 unq 3 iso 0 dist 5.87154 7.42186 11.9106 6.13025 7.41056 7.6938 numMergedOcc 0
7 mol 123 unq 4 iso 0 dist 5.87154 7.42186 11.9106 6.78431 10.7803 3.99394 numMergedOcc 0
8 mol 123 unq 5 iso 0 dist 6.82663 7.42186 6.6925 5.18305 5.2546 10.0612 numMergedOcc 0
9 mol 123 unq 6 iso 0 dist 6.82663 7.42186 6.6925 6.13025 6.33721 7.6938 numMergedOcc 0
10 mol 123 unq 7 iso 0 dist 6.82663 7.42186 6.6925 6.78431 5.79985 3.99394 numMergedOcc 0
11 mol 123 unq 8 iso 0 dist 9.93167 9.47346 13.7302 6.60464 9.94939 3.99394 numMergedOcc 0
12 mol 148 unq 0 iso 0 dist 9.62458 9.92375 14.4323 7.91749 14.6641 11.5773 numMergedOcc 0
13 mol 165 unq 0 iso 0 dist 9.14728 8.67001 13.1991 6.74196 4.12949 10.7696 numMergedOcc 0
14 mol 167 unq 0 iso 0 dist 9.08844 7.93807 9.40319 8.87575 12.6838 14.2454 numMergedOcc 0
15 mol 184 unq 0 iso 0 dist 7.79858 5.92785 9.96392 6.03505 9.86813 6.04545 numMergedOcc 0
16 mol 184 unq 1 iso 0 dist 7.79858 5.92785 9.96392 6.30144 6.87402 4.12242 numMergedOcc 0
17 mol 184 unq 2 iso 0 dist 7.19946 5.92785 5.65874 6.03505 6.13585 6.04545 numMergedOcc 0
18 mol 184 unq 3 iso 0 dist 7.19946 5.92785 5.65874 6.30144 4.1284 4.12242 numMergedOcc 0
19 mol 192 unq 0 iso 0 dist 6.08455 7.27051 7.52403 8.42665 3.22102 6.73951 numMergedOcc 0
20 mol 192 unq 1 iso 0 dist 6.08455 7.35424 6.91699 8.42665 3.22102 6.53644 numMergedOcc 0
21 mol 256 unq 0 iso 0 dist 8.94412 5.17332 10.2209 3.62582 7.71047 3.70808 numMergedOcc 0
22 mol 272 unq 0 iso 0 dist 9.97008 9.1926 14.8278 8.54895 4.83034 10.5558 numMergedOcc 0
23 mol 272 unq 1 iso 0 dist 9.97008 9.17894 17.2633 8.54895 4.83034 15.1513 numMergedOcc 0
24 mol 272 unq 2 iso 0 dist 5.98984 9.1926 6.20439 8.54895 9.59378 10.5558 numMergedOcc 0
25 mol 272 unq 3 iso 0 dist 5.98984 9.17894 6.59992 8.54895 9.59378 15.1513 numMergedOcc 0
26 mol 272 unq 4 iso 0 dist 4.90884 9.1926 8.75151 8.54895 11.8573 10.5558 numMergedOcc 0
27 mol 272 unq 5 iso 0 dist 4.90884 9.17894 4.70157 8.54895 11.8573 15.1513 numMergedOcc 0
28 mol 278 unq 0 iso 0 dist 6.95272 8.71212 5.93697 6.01365 5.04677 6.15148 numMergedOcc 0
29 mol 278 unq 1 iso 0 dist 6.95272 8.60481 7.27472 6.01365 5.04677 10.5492 numMergedOcc 0
30 mol 287 unq 0 iso 0 dist 7.86603 5.62568 5.41757 6.23874 3.39991 5.9468 numMergedOcc 0
31 mol 287 unq 1 iso 0 dist 7.86603 5.62568 5.41757 6.68956 5.46505 3.63993 numMergedOcc 0
32 mol 288 unq 0 iso 0 dist 7.86603 5.62568 5.41757 6.23874 3.39991 5.9468 numMergedOcc 0
33 mol 288 unq 1 iso 0 dist 7.86603 5.62568 5.41757 6.68956 5.46505 3.63993 numMergedOcc 0
34 mol 289 unq 0 iso 0 dist 7.86603 5.62568 5.41757 6.23874 3.39991 5.9468 numMergedOcc 0
35 mol 289 unq 1 iso 0 dist 7.86603 5.62568 5.41757 6.68956 5.46505 3.63993 numMergedOcc 0
