0 mol 51 unq 0 iso 0 dist 8.71029 9.37125 13.6102 5.49645 7.12423 9.0709 numMergedOcc 0
1 mol 54 unq 0 iso 0 dist 5.2932 7.54869 10.7219 5.50049 5.97635 9.5589 numMergedOcc 0
2 mol 54 unq 1 iso 0 dist 5.2932 6.29729 6.76462 5.50049 5.97635 6.83299 numMergedOcc 0
3 mol 76 unq 0 iso 0 dist 9.81027 7.4804 9.03147 5.37685 7.28257 10.0992 numMergedOcc 0
4 mol 95 unq 0 iso 0 dist 7.56534 7.89797 5.33325 11.0293 8.69069 12.5309 numMergedOcc 0
5 mol 95 unq 1 iso 0 dist 7.56534 7.89797 5.33325 4.98369 9.65047 7.27724 numMergedOcc 0
6 mol 95 unq 2 iso 0 dist 7.56534 6.12086 5.69671 11.0293 8.69069 11.659 numMergedOcc 0
7 mol 95 unq 3 iso 0 dist 7.56534 6.12086 5.69671 4.98369 9.65047 8.03644 numMergedOcc 0
8 mol 109 unq 0 iso 0 dist 6.66532 6.929 4.93112 6.28185 8.73648 8.58044 numMergedOcc 0
9 mol 131 unq 0 iso 0 dist 5.44357 9.20372 5.6098 4.88092 6.31125 8.40312 numMergedOcc 0
10 mol 131 unq 1 iso 0 dist 5.44357 6.65519 5.59449 4.88092 6.31125 6.85062 numMergedOcc 0
11 mol 133 unq 0 iso 0 dist 9.22459 6.70271 6.26797 10.8963 5.86531 7.11802 numMergedOcc 0
12 mol 133 unq 1 iso 0 dist 9.22459 6.2109 9.73435 10.8963 5.86531 8.00618 numMergedOcc 0
13 mol 196 unq 0 iso 0 dist 6.76322 9.99721 12.7226 5.71443 8.79558 12.2168 numMergedOcc 0
14 mol 196 unq 1 iso 0 dist 6.76322 8.95053 8.46009 5.71443 8.79558 13.1575 numMergedOcc 0
15 mol 222 unq 0 iso 0 dist 6.67414 9.76857 5.68577 6.69189 9.55777 14.6954 numMergedOcc 0
16 mol 264 unq 0 iso 0 dist 9.07879 5.99069 3.93713 6.99623 8.19504 6.24356 numMergedOcc 0
17 mol 268 unq 0 iso 0 dist 6.39171 7.71964 9.13226 9.59764 9.50733 14.5012 numMergedOcc 0
