0 mol 26 unq 0 iso 0 dist 6.15893 9.06516 5.29055 6.79475 6.64374 9.56136 14.3325 11.5353 6.38243 13.9894 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 5.497 9.06516 4.76998 6.79475 5.39199 9.56136 14.3325 9.5053 6.38243 13.9894 numMergedOcc 0
2 mol 34 unq 0 iso 0 dist 8.90835 7.08559 5.70782 8.38156 10.4006 12.7516 16.1649 10.5969 9.58596 20.7415 numMergedOcc 0
3 mol 34 unq 1 iso 0 dist 8.90835 7.08559 5.70782 7.79336 7.68459 3.39994 16.1649 10.5969 9.58596 11.6541 numMergedOcc 0
4 mol 59 unq 0 iso 0 dist 9.52272 8.35444 14.2005 6.52887 4.72639 13.6068 7.70178 16.4621 7.17026 13.9551 numMergedOcc 0
5 mol 98 unq 0 iso 0 dist 6.0129 4.44979 3.92737 6.61111 3.94967 6.70343 5.92812 10.3996 6.83746 11.6715 numMergedOcc 0
6 mol 98 unq 1 iso 0 dist 6.0129 4.44979 3.92737 6.61111 3.94967 6.70343 6.34014 10.5879 9.14707 9.18457 numMergedOcc 0
7 mol 98 unq 2 iso 0 dist 6.0129 6.61111 3.94967 4.44979 3.92737 6.70343 13.6622 8.43352 8.75597 12.2279 numMergedOcc 0
8 mol 98 unq 3 iso 0 dist 6.0129 6.61111 3.94967 4.44979 3.92737 6.70343 6.34014 10.5879 9.18457 9.14707 numMergedOcc 0
9 mol 119 unq 0 iso 0 dist 7.26955 6.55202 10.3622 9.08536 14.9264 12.7135 8.96522 16.0882 9.6121 9.57341 numMergedOcc 0
10 mol 119 unq 1 iso 0 dist 7.26955 9.08536 14.9264 6.55202 10.3622 12.7135 8.96522 16.0882 9.57341 9.6121 numMergedOcc 0
11 mol 126 unq 0 iso 0 dist 7.36017 9.93613 5.50104 8.7789 3.9234 6.16496 5.83002 5.94233 8.66815 9.48975 numMergedOcc 0
12 mol 126 unq 1 iso 0 dist 5.14819 9.93613 7.02562 8.7789 6.1079 6.16496 5.83002 8.56219 8.66815 9.48975 numMergedOcc 0
13 mol 126 unq 2 iso 0 dist 6.84245 9.93613 11.1195 8.7789 9.58426 6.16496 5.83002 11.9246 8.66815 9.48975 numMergedOcc 0
14 mol 134 unq 0 iso 0 dist 8.55616 6.44575 11.5269 7.43401 6.93712 5.83782 8.05714 9.30061 6.99345 5.11043 numMergedOcc 0
15 mol 134 unq 1 iso 0 dist 8.55616 7.43401 6.93712 6.44575 11.5269 5.83782 8.05714 9.30061 5.11043 6.99345 numMergedOcc 0
16 mol 134 unq 2 iso 0 dist 6.21403 6.57379 6.32315 5.73203 4.07076 4.87973 13.6926 14.687 8.48313 12.1815 numMergedOcc 0
17 mol 143 unq 0 iso 0 dist 9.30424 7.46803 4.06908 8.18023 13.1214 10.1474 7.12863 6.95372 8.68663 13.5717 numMergedOcc 0
18 mol 162 unq 0 iso 0 dist 8.30984 6.65272 3.91051 9.66989 3.88817 4.89072 5.80919 11.9834 8.99227 13.4264 numMergedOcc 0
19 mol 162 unq 1 iso 0 dist 8.30984 6.65272 3.91051 9.66989 3.88817 4.89072 6.12036 11.1941 7.86766 10.768 numMergedOcc 0
20 mol 162 unq 2 iso 0 dist 8.30984 6.65272 3.91051 9.66989 3.88817 4.89072 9.96936 12.5961 9.3867 14.2067 numMergedOcc 0
21 mol 194 unq 0 iso 0 dist 8.52969 7.10155 7.41775 6.11135 11.4789 5.31005 7.69247 5.68348 6.72182 9.996 numMergedOcc 0
22 mol 234 unq 0 iso 0 dist 7.43663 6.96257 10.7351 8.27411 11.1693 15.1017 9.66782 11.4382 8.52295 14.5907 numMergedOcc 0
23 mol 267 unq 0 iso 0 dist 9.01354 5.08174 5.68457 6.32877 14.8427 11.3792 9.7551 12.5839 7.60505 14.3917 numMergedOcc 0
24 mol 267 unq 1 iso 0 dist 9.01354 5.08174 5.68457 9.48115 16.1143 13.5886 9.7551 12.5839 7.60505 17.8644 numMergedOcc 0
25 mol 267 unq 2 iso 0 dist 9.01354 5.08174 5.68457 8.38545 5.32312 7.9327 9.7551 12.5839 7.60505 15.5248 numMergedOcc 0
26 mol 267 unq 3 iso 0 dist 9.01354 5.08174 5.68457 6.10838 5.41564 3.51278 9.7551 12.5839 7.60505 10.4106 numMergedOcc 0
27 mol 292 unq 0 iso 0 dist 5.7131 5.84792 5.93687 6.1905 3.92782 4.99426 6.67435 11.9814 9.2558 11.9946 numMergedOcc 0
28 mol 292 unq 1 iso 0 dist 5.7131 5.84792 5.93687 8.73515 9.40023 3.57128 6.67435 11.9814 9.2558 9.84946 numMergedOcc 0
29 mol 292 unq 2 iso 0 dist 5.7131 8.73515 9.40023 6.1905 3.92782 8.21724 6.67435 11.9814 9.84946 11.9946 numMergedOcc 0
30 mol 292 unq 3 iso 0 dist 5.7131 8.73515 9.40023 5.84792 5.93687 3.57128 6.67435 11.9814 9.84946 9.2558 numMergedOcc 0
