0 mol 29 unq 0 iso 0 dist 6.73481 8.54108 5.82508 3.97609 6.04161 8.58191 numMergedOcc 0
1 mol 38 unq 0 iso 0 dist 7.96306 7.88321 12.0861 8.3311 7.17698 15.593 numMergedOcc 0
2 mol 38 unq 1 iso 0 dist 7.96306 7.88321 12.0861 5.96514 4.74069 12.4232 numMergedOcc 0
3 mol 59 unq 0 iso 0 dist 9.41952 7.75769 11.2457 10.4376 7.80026 15.8604 numMergedOcc 0
4 mol 62 unq 0 iso 0 dist 6.35789 8.58588 8.89127 3.71033 7.95291 12.2706 numMergedOcc 0
5 mol 155 unq 0 iso 0 dist 8.08392 6.80942 11.0082 5.68679 5.55218 8.14405 numMergedOcc 0
6 mol 186 unq 0 iso 0 dist 5.31333 6.64749 9.36417 9.03587 5.27578 11.6033 numMergedOcc 0
7 mol 204 unq 0 iso 0 dist 8.57123 9.51942 5.16062 6.53531 6.63935 10.8261 numMergedOcc 0
8 mol 238 unq 0 iso 0 dist 8.93135 8.75001 12.3431 10.2069 8.31815 17.0378 numMergedOcc 0
9 mol 258 unq 0 iso 0 dist 9.17911 5.53473 11.1086 11.5766 9.6327 15.6763 numMergedOcc 0
10 mol 258 unq 1 iso 0 dist 9.52903 6.41167 5.79358 11.7204 9.6327 12.7887 numMergedOcc 0
11 mol 273 unq 0 iso 0 dist 9.80002 9.83374 7.01631 10.6534 8.66133 9.29783 numMergedOcc 0
12 mol 273 unq 1 iso 0 dist 9.80002 9.83374 7.01631 15.8245 6.95569 11.3096 numMergedOcc 0
13 mol 273 unq 2 iso 0 dist 9.80002 5.97798 7.05181 10.6534 8.66133 12.1337 numMergedOcc 0
14 mol 273 unq 3 iso 0 dist 9.80002 5.97798 7.05181 15.8245 6.95569 11.2194 numMergedOcc 0
15 mol 273 unq 4 iso 0 dist 6.73794 5.75335 7.01631 3.80794 8.66133 9.29783 numMergedOcc 0
16 mol 273 unq 5 iso 0 dist 6.73794 5.75335 7.01631 13.255 6.95569 11.3096 numMergedOcc 0
17 mol 273 unq 6 iso 0 dist 6.73794 8.76527 7.05181 3.80794 8.66133 12.1337 numMergedOcc 0
18 mol 273 unq 7 iso 0 dist 6.73794 8.76527 7.05181 13.255 6.95569 11.2194 numMergedOcc 0
19 mol 279 unq 0 iso 0 dist 6.39586 7.35799 6.25345 6.32559 9.24104 5.41277 numMergedOcc 0
20 mol 280 unq 0 iso 0 dist 6.0218 4.26671 5.846 5.55901 7.4869 6.16546 numMergedOcc 0
