0 mol 28 unq 0 iso 0 dist 9.04621 5.98169 15.0049 7.88348 7.43758 12.3058 numMergedOcc 0
1 mol 28 unq 1 iso 0 dist 8.44081 6.76158 13.5265 8.72422 7.43758 12.8672 numMergedOcc 0
2 mol 28 unq 2 iso 0 dist 8.44081 7.423 12.1819 8.72422 7.43758 10.8131 numMergedOcc 0
3 mol 28 unq 3 iso 0 dist 8.44081 5.89257 9.28235 8.72422 7.43758 9.3779 numMergedOcc 0
4 mol 71 unq 0 iso 0 dist 6.82615 6.5009 5.87766 4.4972 9.75733 10.956 numMergedOcc 0
5 mol 76 unq 0 iso 0 dist 7.41265 6.45955 5.31518 4.76152 9.66589 7.94132 numMergedOcc 0
6 mol 131 unq 0 iso 0 dist 8.91629 9.77654 5.29427 11.2112 7.46875 9.46108 numMergedOcc 0
7 mol 154 unq 0 iso 0 dist 9.3164 5.55632 6.64725 7.0408 6.59749 8.26128 numMergedOcc 0
8 mol 171 unq 0 iso 0 dist 8.63202 6.80203 6.65338 11.452 9.75562 14.7028 numMergedOcc 0
9 mol 171 unq 1 iso 0 dist 4.46397 8.00826 6.65338 8.85582 9.75562 14.7028 numMergedOcc 0
10 mol 186 unq 0 iso 0 dist 6.03801 8.94445 8.77907 6.59916 6.64749 14.1367 numMergedOcc 0
11 mol 194 unq 0 iso 0 dist 7.59687 9.3032 15.5523 10.053 9.64864 17.4316 numMergedOcc 0
12 mol 220 unq 0 iso 0 dist 5.15585 6.18239 7.27943 9.58458 6.64341 13.7486 numMergedOcc 0
13 mol 220 unq 1 iso 0 dist 5.15585 6.18239 7.27943 9.67051 7.31315 14.1179 numMergedOcc 0
14 mol 285 unq 0 iso 0 dist 7.25999 5.64165 3.46565 4.30784 7.98588 8.19757 numMergedOcc 0
15 mol 292 unq 0 iso 0 dist 8.85233 4.97488 9.95731 4.49811 7.40069 9.01115 numMergedOcc 0
16 mol 292 unq 1 iso 0 dist 7.06322 4.97488 3.77627 10.841 9.2899 8.85506 numMergedOcc 0
