0 mol 19 unq 0 iso 0 dist 7.50775 5.92555 7.40236 14.3676 10.3996 9.80108 numMergedOcc 0
1 mol 19 unq 1 iso 0 dist 7.50775 5.92555 7.40236 12.3909 12.323 8.58657 numMergedOcc 0
2 mol 26 unq 0 iso 0 dist 9.89914 7.35595 7.84204 7.46207 12.8511 8.82012 numMergedOcc 0
3 mol 26 unq 1 iso 0 dist 9.89914 7.35595 7.84204 15.3546 15.962 9.16962 numMergedOcc 0
4 mol 45 unq 0 iso 0 dist 8.55903 10.82 9.44125 15.1355 9.89212 7.06308 numMergedOcc 0
5 mol 45 unq 1 iso 0 dist 8.55903 10.82 9.44125 12.2143 5.84319 6.34173 numMergedOcc 0
6 mol 45 unq 2 iso 0 dist 8.55903 10.82 9.44125 13.0007 6.16709 9.43442 numMergedOcc 0
7 mol 70 unq 0 iso 0 dist 5.05263 5.93792 5.48202 7.63663 6.93285 9.34122 numMergedOcc 0
8 mol 73 unq 0 iso 0 dist 5.7576 10.0721 7.78587 10.1112 4.73407 8.70133 numMergedOcc 0
9 mol 73 unq 1 iso 0 dist 5.7576 10.0721 7.78587 6.10011 3.85805 5.64598 numMergedOcc 0
10 mol 73 unq 2 iso 0 dist 5.7576 10.0721 7.78587 8.124 5.17781 4.65521 numMergedOcc 0
11 mol 101 unq 0 iso 0 dist 6.54699 11.1618 8.35515 14.2649 10.1773 9.57816 numMergedOcc 0
12 mol 102 unq 0 iso 0 dist 9.5434 7.6114 7.68537 9.84673 3.48119 9.94856 numMergedOcc 0
13 mol 181 unq 0 iso 0 dist 7.39733 6.09218 6.91878 9.79901 6.13927 4.93785 numMergedOcc 0
14 mol 181 unq 1 iso 0 dist 8.74268 8.78318 6.91878 11.2136 6.13927 4.93785 numMergedOcc 0
15 mol 194 unq 0 iso 0 dist 9.66898 9.59835 9.76225 15.4227 11.7478 6.47873 numMergedOcc 0
16 mol 194 unq 1 iso 0 dist 9.66898 9.59835 9.76225 11.6756 3.77029 8.38695 numMergedOcc 0
17 mol 209 unq 0 iso 0 dist 8.3991 6.18167 8.62439 12.0618 5.36295 9.52027 numMergedOcc 0
18 mol 259 unq 0 iso 0 dist 9.31843 5.4536 9.28024 10.367 6.65799 7.48005 numMergedOcc 0
19 mol 259 unq 1 iso 0 dist 9.31843 5.4536 9.28024 8.57619 9.53031 8.37865 numMergedOcc 0
20 mol 274 unq 0 iso 0 dist 9.76634 5.18671 9.85661 11.1412 4.60007 9.19234 numMergedOcc 0
