0 mol 26 unq 0 iso 0 dist 9.06516 6.79475 9.56136 14.3325 6.38243 13.9894 5.497 4.76998 5.39199 9.5053 numMergedOcc 0
1 mol 98 unq 0 iso 0 dist 6.61111 4.44979 6.70343 13.6622 8.75597 12.2279 6.0129 3.94967 3.92737 8.43352 numMergedOcc 0
2 mol 119 unq 0 iso 0 dist 6.55202 9.08536 12.7135 8.96522 9.6121 9.57341 11.8717 12.8661 5.37917 8.8562 numMergedOcc 0
3 mol 119 unq 1 iso 0 dist 6.55202 9.08536 12.7135 8.96522 9.6121 9.57341 15.8603 13.3563 15.7711 7.91683 numMergedOcc 0
4 mol 119 unq 2 iso 0 dist 9.08536 6.55202 12.7135 8.96522 9.57341 9.6121 11.8717 5.37917 12.8661 8.8562 numMergedOcc 0
5 mol 119 unq 3 iso 0 dist 9.08536 6.55202 12.7135 8.96522 9.57341 9.6121 15.8603 15.7711 13.3563 7.91683 numMergedOcc 0
6 mol 126 unq 0 iso 0 dist 9.93613 8.7789 6.16496 5.83002 8.66815 9.48975 7.36017 5.50104 3.9234 5.94233 numMergedOcc 0
7 mol 126 unq 1 iso 0 dist 9.93613 8.7789 6.16496 5.83002 8.66815 9.48975 5.14819 7.02562 6.1079 8.56219 numMergedOcc 0
8 mol 134 unq 0 iso 0 dist 6.44575 7.43401 5.83782 8.05714 6.99345 5.11043 8.55616 11.5269 6.93712 9.30061 numMergedOcc 0
9 mol 134 unq 1 iso 0 dist 7.43401 6.44575 5.83782 8.05714 5.11043 6.99345 8.55616 6.93712 11.5269 9.30061 numMergedOcc 0
10 mol 134 unq 2 iso 0 dist 6.57379 5.73203 4.87973 13.6926 8.48313 12.1815 21.0029 16.1483 18.0386 9.30061 numMergedOcc 0
11 mol 143 unq 0 iso 0 dist 7.46803 8.18023 10.1474 7.12863 8.68663 13.5717 9.30424 4.06908 13.1214 6.95372 numMergedOcc 0
12 mol 162 unq 0 iso 0 dist 6.65272 9.66989 4.89072 6.12036 7.86766 10.768 10.3281 9.03836 7.95724 7.58035 numMergedOcc 0
13 mol 194 unq 0 iso 0 dist 7.10155 6.11135 5.31005 7.69247 6.72182 9.996 8.52969 7.41775 11.4789 5.68348 numMergedOcc 0
14 mol 225 unq 0 iso 0 dist 8.91356 9.57455 9.9109 8.99405 9.87668 10.5222 14.999 18.9885 16.9697 9.23935 numMergedOcc 0
15 mol 225 unq 1 iso 0 dist 8.91356 9.57455 9.9109 8.99405 9.87668 10.5222 15.6422 17.5145 16.5805 7.77552 numMergedOcc 0
16 mol 234 unq 0 iso 0 dist 6.96257 8.27411 15.1017 9.66782 8.52295 14.5907 9.28101 5.96499 16.2467 6.00582 numMergedOcc 0
17 mol 272 unq 0 iso 0 dist 6.95241 8.84523 9.5745 4.61146 9.30437 13.2273 12.2388 16.0925 21.0674 8.13034 numMergedOcc 0
