0 mol 38 unq 0 iso 0 dist 6.70575 10.8959 7.98333 4.82342 5.39129 9.70612 numMergedOcc 0
1 mol 38 unq 1 iso 0 dist 6.70575 10.8959 7.98333 9.38036 5.29179 6.46781 numMergedOcc 0
2 mol 38 unq 2 iso 0 dist 6.70575 10.8959 7.98333 15.3483 9.58231 8.19077 numMergedOcc 0
3 mol 71 unq 0 iso 0 dist 8.72396 4.16657 4.87767 13.1474 5.6601 9.95096 numMergedOcc 0
4 mol 117 unq 0 iso 0 dist 5.98822 4.87865 5.38954 11.8669 6.29427 9.60425 numMergedOcc 0
5 mol 127 unq 0 iso 0 dist 6.00571 7.85553 9.78409 10.5533 9.75166 8.09965 numMergedOcc 0
6 mol 129 unq 0 iso 0 dist 9.55462 8.63314 7.7267 11.4721 6.37892 7.00798 numMergedOcc 0
7 mol 129 unq 1 iso 0 dist 9.51379 4.81238 7.7267 11.3259 6.37892 7.00798 numMergedOcc 0
8 mol 158 unq 0 iso 0 dist 7.19084 5.31396 9.83634 12.8515 18.1743 9.03632 numMergedOcc 0
9 mol 185 unq 0 iso 0 dist 7.7352 4.03855 9.20346 10.0926 10.9909 6.62848 numMergedOcc 0
10 mol 186 unq 0 iso 0 dist 9.43816 14.0181 9.4588 18.0915 9.45235 8.84116 numMergedOcc 0
11 mol 186 unq 1 iso 0 dist 9.43816 14.0181 9.4588 16.249 10.591 8.16369 numMergedOcc 0
12 mol 220 unq 0 iso 0 dist 6.61361 4.61842 9.98753 4.71754 7.17028 5.71825 numMergedOcc 0
13 mol 234 unq 0 iso 0 dist 9.79506 5.72206 7.37405 8.58958 6.00143 6.15754 numMergedOcc 0
14 mol 234 unq 1 iso 0 dist 9.79506 5.72206 7.37405 7.17987 9.8423 8.9413 numMergedOcc 0
15 mol 234 unq 2 iso 0 dist 9.79506 11.3977 9.42966 8.58958 6.00143 6.6281 numMergedOcc 0
16 mol 234 unq 3 iso 0 dist 6.05991 13.3231 9.5831 11.5446 6.16697 4.91961 numMergedOcc 0
17 mol 234 unq 4 iso 0 dist 6.05991 13.3231 9.5831 20.3394 16.1011 7.14333 numMergedOcc 0
18 mol 239 unq 0 iso 0 dist 6.36178 7.67507 7.76984 14.1009 11.4465 6.92721 numMergedOcc 0
19 mol 257 unq 0 iso 0 dist 6.82161 11.273 8.42116 6.50405 5.86413 8.95261 numMergedOcc 0
20 mol 257 unq 1 iso 0 dist 6.82161 8.30954 8.53984 6.50405 5.86413 7.80336 numMergedOcc 0
21 mol 257 unq 2 iso 0 dist 5.97154 11.5483 8.42116 11.502 5.86413 8.95261 numMergedOcc 0
22 mol 257 unq 3 iso 0 dist 5.97154 11.5492 8.53984 11.502 5.86413 7.80336 numMergedOcc 0
23 mol 257 unq 4 iso 0 dist 8.4903 16.1477 8.42116 13.4337 5.86413 8.95261 numMergedOcc 0
24 mol 257 unq 5 iso 0 dist 8.4903 16.1125 8.53984 13.4337 5.86413 7.80336 numMergedOcc 0
25 mol 257 unq 6 iso 0 dist 8.04644 14.1389 8.42116 13.7377 5.86413 8.95261 numMergedOcc 0
26 mol 257 unq 7 iso 0 dist 8.04644 15.3553 8.53984 13.7377 5.86413 7.80336 numMergedOcc 0
27 mol 259 unq 0 iso 0 dist 6.09059 9.52861 8.87598 10.1887 6.59107 5.29682 numMergedOcc 0
28 mol 259 unq 1 iso 0 dist 6.09059 9.52861 8.87598 14.2458 11.1778 6.20344 numMergedOcc 0
29 mol 265 unq 0 iso 0 dist 9.09835 5.74413 5.81967 11.0642 8.31727 5.89409 numMergedOcc 0
30 mol 265 unq 1 iso 0 dist 9.09835 4.64374 9.19106 11.0642 8.31727 7.45719 numMergedOcc 0
