0 mol 20 unq 0 iso 0 dist 5.9809 5.83917 5.28474 6.31611 8.25405 10.5895 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 9.06516 6.79475 9.56136 14.3325 6.38243 13.9894 numMergedOcc 0
2 mol 34 unq 0 iso 0 dist 7.08559 8.38156 12.7516 16.1649 9.58596 20.7415 numMergedOcc 0
3 mol 34 unq 1 iso 0 dist 7.08559 7.79336 3.39994 16.1649 9.58596 11.6541 numMergedOcc 0
4 mol 59 unq 0 iso 0 dist 8.35444 6.52887 13.6068 7.70178 7.17026 13.9551 numMergedOcc 0
5 mol 98 unq 0 iso 0 dist 4.44979 6.61111 6.70343 5.92812 6.83746 11.6715 numMergedOcc 0
6 mol 98 unq 1 iso 0 dist 4.44979 6.61111 6.70343 6.34014 9.14707 9.18457 numMergedOcc 0
7 mol 98 unq 2 iso 0 dist 6.61111 4.44979 6.70343 13.6622 8.75597 12.2279 numMergedOcc 0
8 mol 98 unq 3 iso 0 dist 6.61111 4.44979 6.70343 6.34014 9.18457 9.14707 numMergedOcc 0
9 mol 112 unq 0 iso 0 dist 8.91262 6.12922 5.11 9.06991 7.44041 10.2176 numMergedOcc 0
10 mol 119 unq 0 iso 0 dist 6.55202 9.08536 12.7135 8.96522 9.6121 9.57341 numMergedOcc 0
11 mol 119 unq 1 iso 0 dist 9.08536 6.55202 12.7135 8.96522 9.57341 9.6121 numMergedOcc 0
12 mol 126 unq 0 iso 0 dist 9.93613 8.7789 6.16496 5.83002 8.66815 9.48975 numMergedOcc 0
13 mol 134 unq 0 iso 0 dist 6.44575 7.43401 5.83782 8.05714 6.99345 5.11043 numMergedOcc 0
14 mol 134 unq 1 iso 0 dist 7.43401 6.44575 5.83782 8.05714 5.11043 6.99345 numMergedOcc 0
15 mol 134 unq 2 iso 0 dist 6.57379 5.73203 4.87973 13.6926 8.48313 12.1815 numMergedOcc 0
16 mol 143 unq 0 iso 0 dist 7.46803 8.18023 10.1474 7.12863 8.68663 13.5717 numMergedOcc 0
17 mol 162 unq 0 iso 0 dist 6.65272 9.66989 4.89072 5.80919 8.99227 13.4264 numMergedOcc 0
18 mol 162 unq 1 iso 0 dist 6.65272 9.66989 4.89072 6.12036 7.86766 10.768 numMergedOcc 0
19 mol 162 unq 2 iso 0 dist 6.65272 9.66989 4.89072 9.96936 9.3867 14.2067 numMergedOcc 0
20 mol 194 unq 0 iso 0 dist 7.10155 6.11135 5.31005 7.69247 6.72182 9.996 numMergedOcc 0
21 mol 225 unq 0 iso 0 dist 8.91356 9.57455 9.9109 16.9887 9.57955 13.484 numMergedOcc 0
22 mol 225 unq 1 iso 0 dist 8.91356 9.57455 9.9109 8.99405 9.87668 10.5222 numMergedOcc 0
23 mol 234 unq 0 iso 0 dist 6.96257 8.27411 15.1017 9.66782 8.52295 14.5907 numMergedOcc 0
24 mol 267 unq 0 iso 0 dist 5.08174 6.32877 11.3792 9.7551 7.60505 14.3917 numMergedOcc 0
25 mol 267 unq 1 iso 0 dist 5.08174 9.48115 13.5886 9.7551 7.60505 17.8644 numMergedOcc 0
26 mol 267 unq 2 iso 0 dist 5.08174 8.38545 7.9327 9.7551 7.60505 15.5248 numMergedOcc 0
27 mol 267 unq 3 iso 0 dist 5.08174 6.10838 3.51278 9.7551 7.60505 10.4106 numMergedOcc 0
28 mol 270 unq 0 iso 0 dist 9.51462 8.12971 6.94419 8.58393 8.20158 12.5701 numMergedOcc 0
29 mol 272 unq 0 iso 0 dist 6.95241 8.84523 9.5745 4.61146 9.30437 13.2273 numMergedOcc 0
30 mol 292 unq 0 iso 0 dist 5.84792 6.1905 4.99426 6.67435 9.2558 11.9946 numMergedOcc 0
31 mol 292 unq 1 iso 0 dist 5.84792 8.73515 3.57128 6.67435 9.2558 9.84946 numMergedOcc 0
32 mol 292 unq 2 iso 0 dist 8.73515 6.1905 8.21724 6.67435 9.84946 11.9946 numMergedOcc 0
33 mol 292 unq 3 iso 0 dist 8.73515 5.84792 3.57128 6.67435 9.84946 9.2558 numMergedOcc 0
