0 mol 27 unq 0 iso 0 dist 7.72334 6.68662 3.71141 5.88339 9.58751 9.52155 numMergedOcc 0
1 mol 27 unq 1 iso 0 dist 7.90154 9.11084 3.71141 15.6378 9.58751 9.52155 numMergedOcc 0
2 mol 34 unq 0 iso 0 dist 8.28811 6.63128 9.23301 10.516 9.26362 14.1403 numMergedOcc 0
3 mol 34 unq 1 iso 0 dist 8.28811 6.63128 9.23301 9.16728 7.05327 13.8953 numMergedOcc 0
4 mol 34 unq 2 iso 0 dist 6.29253 6.63128 6.86731 9.16728 9.29284 13.8953 numMergedOcc 0
5 mol 78 unq 0 iso 0 dist 8.16546 6.88471 7.1146 13.7086 7.03887 12.6919 numMergedOcc 0
6 mol 78 unq 1 iso 0 dist 8.16546 6.88471 7.1146 10.9209 5.36451 11.2592 numMergedOcc 0
7 mol 78 unq 2 iso 0 dist 8.16546 6.88471 7.1146 15.7494 9.28354 12.8456 numMergedOcc 0
8 mol 90 unq 0 iso 0 dist 5.42653 7.10895 3.96397 8.91067 6.18681 9.33968 numMergedOcc 0
9 mol 90 unq 1 iso 0 dist 5.42653 7.10895 3.96397 9.02213 9.33288 12.3535 numMergedOcc 0
10 mol 123 unq 0 iso 0 dist 9.07528 8.57379 3.6989 7.36026 8.53618 6.63094 numMergedOcc 0
11 mol 123 unq 1 iso 0 dist 6.24626 5.87154 5.14679 6.45068 8.53618 8.24171 numMergedOcc 0
12 mol 123 unq 2 iso 0 dist 6.24626 6.82663 3.6989 6.45068 8.53618 6.63094 numMergedOcc 0
13 mol 136 unq 0 iso 0 dist 6.60605 9.12669 8.02079 6.13696 8.98184 13.5624 numMergedOcc 0
14 mol 187 unq 0 iso 0 dist 9.25461 8.9118 7.3711 6.93719 9.87719 8.92454 numMergedOcc 0
15 mol 256 unq 0 iso 0 dist 7.54244 8.94412 6.03934 9.16813 5.85613 10.6111 numMergedOcc 0
16 mol 260 unq 0 iso 0 dist 6.57783 8.67447 13.3882 8.1257 5.30187 13.4331 numMergedOcc 0
17 mol 283 unq 0 iso 0 dist 6.87568 5.34771 9.22715 5.91899 9.06774 9.74797 numMergedOcc 0
18 mol 283 unq 1 iso 0 dist 6.87568 5.34771 9.22715 8.2722 7.83424 9.90494 numMergedOcc 0
19 mol 283 unq 2 iso 0 dist 6.87568 9.2825 5.16367 5.91899 9.06774 12.1203 numMergedOcc 0
20 mol 283 unq 3 iso 0 dist 6.87568 9.2825 5.16367 8.2722 7.83424 5.90121 numMergedOcc 0
21 mol 283 unq 4 iso 0 dist 6.50648 9.40332 9.22715 8.32685 9.06774 9.74797 numMergedOcc 0
22 mol 283 unq 5 iso 0 dist 6.50648 9.40332 9.22715 5.93642 7.83424 9.90494 numMergedOcc 0
23 mol 283 unq 6 iso 0 dist 6.50648 5.8676 5.16367 8.32685 9.06774 12.1203 numMergedOcc 0
24 mol 283 unq 7 iso 0 dist 6.50648 5.8676 5.16367 5.93642 7.83424 5.90121 numMergedOcc 0
25 mol 287 unq 0 iso 0 dist 7.59237 7.17626 6.53691 6.23875 9.53713 8.70479 numMergedOcc 0
26 mol 288 unq 0 iso 0 dist 7.59237 7.17626 6.53691 6.23875 9.53713 8.70479 numMergedOcc 0
27 mol 289 unq 0 iso 0 dist 7.59237 7.17626 6.53691 6.23875 9.53713 8.70479 numMergedOcc 0
