0 mol 7 unq 0 iso 0 dist 9.20552 15.1647 8.41585 5.26458 5.99972 12.0193 12.057 6.06176 6.36911 10.6471 numMergedOcc 0
1 mol 58 unq 0 iso 0 dist 9.81637 11.9429 6.62496 6.18332 5.93884 5.78774 19.2181 10.2241 9.58673 13.7654 numMergedOcc 0
2 mol 64 unq 0 iso 0 dist 9.56181 7.70414 9.67592 5.40109 9.97159 6.21578 11.6368 5.3948 8.68586 9.32552 numMergedOcc 0
3 mol 72 unq 0 iso 0 dist 9.43143 16.2349 9.96708 11.9655 9.27838 11.6378 18.1249 9.0131 7.321 13.1462 numMergedOcc 0
4 mol 92 unq 0 iso 0 dist 9.8079 5.182 7.4729 13.832 6.95572 9.50382 10.8573 6.99832 5.81965 5.39745 numMergedOcc 0
5 mol 92 unq 1 iso 0 dist 9.8079 5.182 7.4729 15.33 7.38677 12.7565 10.8573 6.99832 5.81965 10.8154 numMergedOcc 0
6 mol 92 unq 2 iso 0 dist 9.8079 10.571 6.82344 13.832 6.95572 7.56363 10.8573 6.99832 9.70512 5.39745 numMergedOcc 0
7 mol 92 unq 3 iso 0 dist 9.8079 10.571 6.82344 15.33 7.38677 5.91004 10.8573 6.99832 9.70512 10.8154 numMergedOcc 0
8 mol 92 unq 4 iso 0 dist 8.3558 15.1474 7.4729 10.2731 6.95572 9.50382 13.8802 6.99832 5.81965 5.39745 numMergedOcc 0
9 mol 92 unq 5 iso 0 dist 8.3558 15.1474 7.4729 4.66752 7.38677 12.7565 13.8802 6.99832 5.81965 10.8154 numMergedOcc 0
10 mol 92 unq 6 iso 0 dist 8.3558 8.66262 6.82344 10.2731 6.95572 7.56363 13.8802 6.99832 9.70512 5.39745 numMergedOcc 0
11 mol 92 unq 7 iso 0 dist 8.3558 8.66262 6.82344 4.66752 7.38677 5.91004 13.8802 6.99832 9.70512 10.8154 numMergedOcc 0
12 mol 133 unq 0 iso 0 dist 8.66715 14.0905 7.11802 5.05981 9.22232 16.0138 12.7291 4.68409 7.92688 12.3267 numMergedOcc 0
13 mol 133 unq 1 iso 0 dist 8.66715 14.0905 7.11802 17.5205 9.22661 5.92062 12.7291 4.68409 7.92688 6.51868 numMergedOcc 0
14 mol 133 unq 2 iso 0 dist 8.66715 14.0905 7.11802 15.4908 7.56378 6.61891 12.7291 4.68409 7.92688 7.34698 numMergedOcc 0
15 mol 133 unq 3 iso 0 dist 8.95433 11.0811 7.11802 13.7968 9.22232 16.0138 9.59094 4.68409 7.92688 12.3267 numMergedOcc 0
16 mol 133 unq 4 iso 0 dist 8.95433 11.0811 7.11802 12.0166 9.22661 5.92062 9.59094 4.68409 7.92688 6.51868 numMergedOcc 0
17 mol 133 unq 5 iso 0 dist 8.95433 11.0811 7.11802 5.14992 7.56378 6.61891 9.59094 4.68409 7.92688 7.34698 numMergedOcc 0
18 mol 134 unq 0 iso 0 dist 5.79157 13.0109 9.86662 12.2847 9.94764 4.57832 11.6044 6.17103 8.79571 8.73604 numMergedOcc 0
19 mol 134 unq 1 iso 0 dist 5.79157 14.1608 9.71307 12.2847 9.94764 5.29786 11.6044 6.17103 5.42582 8.73604 numMergedOcc 0
20 mol 209 unq 0 iso 0 dist 5.92907 5.35615 7.56373 9.57857 6.85935 6.552 5.20111 6.43758 9.52027 12.3767 numMergedOcc 0
21 mol 235 unq 0 iso 0 dist 7.8128 5.49043 5.4638 12.5723 9.55668 7.60081 11.945 4.65302 8.21247 7.95766 numMergedOcc 0
22 mol 274 unq 0 iso 0 dist 9.13226 11.3302 8.49997 8.85159 9.85289 11.4459 10.308 6.8406 7.97444 14.7249 numMergedOcc 0
