0 mol 13 unq 0 iso 0 dist 6.80844 8.37063 11.1689 5.07585 6.02651 13.0931 numMergedOcc 0
1 mol 32 unq 0 iso 0 dist 4.09276 7.6082 5.43691 5.47588 8.67141 10.757 numMergedOcc 0
2 mol 44 unq 0 iso 0 dist 6.14602 7.41011 7.82906 4.0144 6.11574 10.2193 numMergedOcc 0
3 mol 46 unq 0 iso 0 dist 5.76869 7.70084 9.66601 3.98752 8.32948 10.5998 numMergedOcc 0
4 mol 46 unq 1 iso 0 dist 5.76869 7.70084 9.66601 7.08886 7.43338 14.2501 numMergedOcc 0
5 mol 64 unq 0 iso 0 dist 7.49861 6.2165 5.8441 4.69203 5.45684 7.76644 numMergedOcc 0
6 mol 64 unq 1 iso 0 dist 7.49861 6.2165 5.8441 5.59746 7.66372 9.99743 numMergedOcc 0
7 mol 64 unq 2 iso 0 dist 6.2165 7.49861 5.8441 4.69203 7.76644 5.45684 numMergedOcc 0
8 mol 64 unq 3 iso 0 dist 6.2165 7.49861 5.8441 5.59746 9.99743 7.66372 numMergedOcc 0
9 mol 83 unq 0 iso 0 dist 7.88704 9.54782 15.7506 10.1307 8.49115 18.0383 numMergedOcc 0
10 mol 156 unq 0 iso 0 dist 9.13184 7.27593 11.1396 4.20708 5.50879 6.69157 numMergedOcc 0
11 mol 156 unq 1 iso 0 dist 7.27593 9.13184 11.1396 4.20708 6.69157 5.50879 numMergedOcc 0
12 mol 172 unq 0 iso 0 dist 9.41172 8.2809 5.65773 12.9865 9.21942 14.3342 numMergedOcc 0
13 mol 172 unq 1 iso 0 dist 9.41172 8.2809 5.65773 4.73085 7.44084 5.28889 numMergedOcc 0
14 mol 172 unq 2 iso 0 dist 9.41172 8.2809 5.65773 12.2355 7.77643 4.90175 numMergedOcc 0
15 mol 172 unq 3 iso 0 dist 8.2809 9.41172 5.65773 4.73085 5.28889 7.44084 numMergedOcc 0
16 mol 172 unq 4 iso 0 dist 8.2809 9.41172 5.65773 12.2355 4.90175 7.77643 numMergedOcc 0
17 mol 244 unq 0 iso 0 dist 8.19381 8.93421 15.6469 8.49995 6.2667 15.3246 numMergedOcc 0
18 mol 244 unq 1 iso 0 dist 8.19381 7.35657 11.0309 8.49995 6.2667 10.9581 numMergedOcc 0
19 mol 244 unq 2 iso 0 dist 8.19381 6.19605 13.7622 8.49995 6.2667 14.6084 numMergedOcc 0
20 mol 250 unq 0 iso 0 dist 8.63767 8.66164 12.6741 16.6108 8.59384 19.9801 numMergedOcc 0
21 mol 250 unq 1 iso 0 dist 8.66164 8.63767 12.6741 12.4291 9.04888 17.824 numMergedOcc 0
22 mol 273 unq 0 iso 0 dist 9.83374 5.97798 6.91672 5.87385 7.84151 7.346 numMergedOcc 0
23 mol 273 unq 1 iso 0 dist 9.83374 5.97798 6.91672 14.3152 7.85797 13.6755 numMergedOcc 0
24 mol 273 unq 2 iso 0 dist 5.97798 9.83374 6.91672 5.87385 7.346 7.84151 numMergedOcc 0
25 mol 273 unq 3 iso 0 dist 5.75335 8.76527 6.91672 3.92089 7.84151 7.346 numMergedOcc 0
26 mol 273 unq 4 iso 0 dist 5.75335 8.76527 6.91672 9.51983 7.85797 13.6755 numMergedOcc 0
27 mol 273 unq 5 iso 0 dist 8.76527 5.75335 6.91672 3.92089 7.346 7.84151 numMergedOcc 0
