0 mol 6 unq 0 iso 0 dist 8.96036 6.27506 8.46873 11.5303 6.37317 9.12796 numMergedOcc 0
1 mol 6 unq 1 iso 0 dist 8.96036 6.27506 8.46873 7.76894 6.24927 6.1462 numMergedOcc 0
2 mol 8 unq 0 iso 0 dist 7.61253 11.2594 7.65219 20.2668 15.5539 9.00925 numMergedOcc 0
3 mol 8 unq 1 iso 0 dist 8.89531 9.19079 7.65219 17.8104 15.5539 9.00925 numMergedOcc 0
4 mol 12 unq 0 iso 0 dist 4.42819 10.3133 9.99955 15.5009 14.5243 5.9021 numMergedOcc 0
5 mol 12 unq 1 iso 0 dist 4.42819 10.3133 9.99955 9.24979 5.3482 8.98466 numMergedOcc 0
6 mol 19 unq 0 iso 0 dist 9.82581 4.44575 6.8824 13.457 5.83115 9.3147 numMergedOcc 0
7 mol 19 unq 1 iso 0 dist 9.82581 4.44575 6.8824 8.53244 13.3381 9.79426 numMergedOcc 0
8 mol 19 unq 2 iso 0 dist 8.96529 4.44575 8.33492 13.457 15.1867 9.3147 numMergedOcc 0
9 mol 19 unq 3 iso 0 dist 8.96529 4.44575 8.33492 8.53244 6.1852 9.79426 numMergedOcc 0
10 mol 19 unq 4 iso 0 dist 9.39332 16.0084 8.33492 23.7779 15.1867 9.3147 numMergedOcc 0
11 mol 19 unq 5 iso 0 dist 9.39332 16.0084 8.33492 12.384 6.1852 9.79426 numMergedOcc 0
12 mol 19 unq 6 iso 0 dist 6.79758 8.93186 6.8824 11.2516 4.55916 9.50382 numMergedOcc 0
13 mol 48 unq 0 iso 0 dist 9.04237 8.69822 9.65989 11.4618 5.70853 8.36915 numMergedOcc 0
14 mol 48 unq 1 iso 0 dist 9.04237 8.69822 9.65989 10.441 11.7008 6.01454 numMergedOcc 0
15 mol 48 unq 2 iso 0 dist 9.73869 8.69822 8.66272 11.4618 4.8908 8.36915 numMergedOcc 0
16 mol 48 unq 3 iso 0 dist 9.73869 8.69822 8.66272 10.441 5.82846 6.01454 numMergedOcc 0
17 mol 61 unq 0 iso 0 dist 8.18795 8.69332 7.87897 11.5551 6.29462 6.81879 numMergedOcc 0
18 mol 79 unq 0 iso 0 dist 9.73708 6.42806 4.52157 10.116 5.65368 7.41952 numMergedOcc 0
19 mol 103 unq 0 iso 0 dist 8.0514 5.1712 5.24823 12.7157 8.47667 7.57822 numMergedOcc 0
20 mol 119 unq 0 iso 0 dist 7.01453 10.4627 8.64438 16.3989 10.9345 8.24549 numMergedOcc 0
21 mol 119 unq 1 iso 0 dist 8.45627 12.0303 8.64438 17.2431 10.9345 8.24549 numMergedOcc 0
22 mol 132 unq 0 iso 0 dist 8.97036 4.24969 7.73306 9.0788 5.6296 8.15549 numMergedOcc 0
23 mol 143 unq 0 iso 0 dist 7.88346 11.7354 5.9183 17.2981 9.74045 6.68364 numMergedOcc 0
24 mol 165 unq 0 iso 0 dist 9.87296 11.5466 9.13163 20.7158 14.676 9.59989 numMergedOcc 0
25 mol 186 unq 0 iso 0 dist 9.99051 8.64792 7.87204 16.8949 12.085 8.39345 numMergedOcc 0
26 mol 186 unq 1 iso 0 dist 5.34307 9.27504 4.47148 6.98498 5.36423 9.08767 numMergedOcc 0
27 mol 230 unq 0 iso 0 dist 7.50128 7.03151 9.26431 6.05795 4.32804 6.23346 numMergedOcc 0
28 mol 254 unq 0 iso 0 dist 8.22257 6.97174 9.62779 12.1591 9.73538 7.53352 numMergedOcc 0
29 mol 254 unq 1 iso 0 dist 8.22257 6.97174 9.62779 12.5299 8.88569 7.80793 numMergedOcc 0
30 mol 259 unq 0 iso 0 dist 8.43646 5.98095 8.06955 14.6421 13.2664 8.91916 numMergedOcc 0
31 mol 259 unq 1 iso 0 dist 8.43646 5.98095 8.06955 9.98565 9.68677 4.55368 numMergedOcc 0
32 mol 266 unq 0 iso 0 dist 8.78501 14.623 8.48012 13.5378 5.69904 5.28417 numMergedOcc 0
33 mol 283 unq 0 iso 0 dist 6.28768 6.05787 8.76844 11.288 8.99445 7.53773 numMergedOcc 0
34 mol 284 unq 0 iso 0 dist 6.05336 6.51653 7.78736 14.6026 12.1488 9.47963 numMergedOcc 0
