0 mol 41 unq 0 iso 0 dist 9.59131 8.19484 4.15148 5.91275 9.04462 7.89705 numMergedOcc 0
1 mol 76 unq 0 iso 0 dist 9.4022 7.81334 4.28388 7.08972 8.8247 4.66377 numMergedOcc 0
2 mol 79 unq 0 iso 0 dist 7.74131 5.69384 6.32618 6.05149 11.1999 6.07578 numMergedOcc 0
3 mol 103 unq 0 iso 0 dist 9.57953 9.7171 5.74649 4.36597 8.1375 9.39702 numMergedOcc 0
4 mol 109 unq 0 iso 0 dist 7.59374 7.49224 3.95956 12.1962 10.2479 7.73993 numMergedOcc 0
5 mol 112 unq 0 iso 0 dist 7.84249 7.98999 13.6459 14.3349 20.554 7.35503 numMergedOcc 0
6 mol 112 unq 1 iso 0 dist 7.84249 7.98999 13.6459 15.4161 22.2177 8.79543 numMergedOcc 0
7 mol 112 unq 2 iso 0 dist 7.84249 7.98999 13.6459 9.87475 16.1307 6.48223 numMergedOcc 0
8 mol 130 unq 0 iso 0 dist 8.80041 7.62584 7.19014 5.11455 9.92685 4.85559 numMergedOcc 0
9 mol 130 unq 1 iso 0 dist 8.80041 7.62584 7.19014 10.0429 11.6055 6.87562 numMergedOcc 0
10 mol 154 unq 0 iso 0 dist 7.10223 9.2042 7.86748 7.10961 7.63904 6.31314 numMergedOcc 0
11 mol 163 unq 0 iso 0 dist 7.7264 9.3832 15.0568 17.2409 20.6729 9.29539 numMergedOcc 0
12 mol 163 unq 1 iso 0 dist 7.7264 9.3832 15.0568 14.7097 20.1876 9.02124 numMergedOcc 0
13 mol 163 unq 2 iso 0 dist 7.5447 6.0247 3.64474 8.52732 8.66172 9.29539 numMergedOcc 0
14 mol 163 unq 3 iso 0 dist 7.5447 6.0247 3.64474 12.8414 6.89529 9.02124 numMergedOcc 0
15 mol 171 unq 0 iso 0 dist 8.59783 7.68295 5.31547 5.24208 6.20851 6.81707 numMergedOcc 0
16 mol 183 unq 0 iso 0 dist 8.68085 8.84125 9.57514 4.0252 10.8849 6.76315 numMergedOcc 0
17 mol 183 unq 1 iso 0 dist 8.15747 8.23616 9.81254 5.66126 12.4307 6.76315 numMergedOcc 0
18 mol 183 unq 2 iso 0 dist 8.74903 8.23616 9.58361 5.66126 12.1873 6.76315 numMergedOcc 0
19 mol 218 unq 0 iso 0 dist 8.61427 5.72444 6.57626 5.7173 13.3613 8.23919 numMergedOcc 0
20 mol 237 unq 0 iso 0 dist 9.18638 9.74081 6.08522 13.9685 13.3146 7.68769 numMergedOcc 0
21 mol 243 unq 0 iso 0 dist 5.86679 5.66593 4.2759 5.80426 10.0366 8.54245 numMergedOcc 0
22 mol 243 unq 1 iso 0 dist 8.28347 5.66593 5.81296 5.80426 7.93817 8.54245 numMergedOcc 0
23 mol 251 unq 0 iso 0 dist 8.89433 8.38382 9.21735 6.58237 10.2242 5.0953 numMergedOcc 0
24 mol 285 unq 0 iso 0 dist 8.12306 6.89391 13.3596 9.97666 17.9599 7.06878 numMergedOcc 0
