0 mol 5 unq 0 iso 0 dist 8.25372 7.57575 7.95876 6.13695 7.74636 10.0149 numMergedOcc 0
1 mol 34 unq 0 iso 0 dist 8.87762 12.9926 7.18022 4.96658 9.41098 13.1004 numMergedOcc 0
2 mol 46 unq 0 iso 0 dist 7.39124 5.55112 9.9787 6.16081 5.4713 10.6814 numMergedOcc 0
3 mol 53 unq 0 iso 0 dist 9.06787 5.87231 7.28228 4.50355 9.32314 4.32161 numMergedOcc 0
4 mol 62 unq 0 iso 0 dist 5.6359 11.4221 9.69044 4.85685 9.19512 14.3608 numMergedOcc 0
5 mol 62 unq 1 iso 0 dist 5.6359 4.05764 6.9103 4.85685 9.19512 5.9487 numMergedOcc 0
6 mol 67 unq 0 iso 0 dist 5.35145 6.45647 8.3733 5.88789 5.88409 4.04753 numMergedOcc 0
7 mol 68 unq 0 iso 0 dist 8.76815 11.0447 9.8703 11.2448 8.19932 10.9724 numMergedOcc 0
8 mol 68 unq 1 iso 0 dist 8.76815 5.4779 7.39665 11.2448 8.19932 10.6721 numMergedOcc 0
9 mol 76 unq 0 iso 0 dist 5.65006 5.27863 8.23026 5.5308 5.45099 4.27653 numMergedOcc 0
10 mol 76 unq 1 iso 0 dist 5.65006 5.27863 8.23026 10.5881 8.44765 10.934 numMergedOcc 0
11 mol 76 unq 2 iso 0 dist 5.65006 5.27863 8.23026 9.74852 9.06643 11.8887 numMergedOcc 0
12 mol 113 unq 0 iso 0 dist 6.53198 13.9402 8.80934 5.23075 4.30875 13.0914 numMergedOcc 0
13 mol 113 unq 1 iso 0 dist 6.53198 13.9402 8.80934 5.43595 8.65807 12.5818 numMergedOcc 0
14 mol 142 unq 0 iso 0 dist 9.64785 12.444 7.81207 10.5548 5.42679 4.05822 numMergedOcc 0
15 mol 142 unq 1 iso 0 dist 9.64785 7.18287 6.14151 10.5548 5.42679 4.7832 numMergedOcc 0
16 mol 152 unq 0 iso 0 dist 9.77567 5.29694 6.59889 13.8682 8.60651 10.6994 numMergedOcc 0
17 mol 152 unq 1 iso 0 dist 9.77567 12.1481 6.70693 13.8682 8.60651 4.68615 numMergedOcc 0
18 mol 162 unq 0 iso 0 dist 9.19254 4.7924 7.37333 5.67773 8.91326 4.68369 numMergedOcc 0
19 mol 186 unq 0 iso 0 dist 5.09756 5.01462 8.90571 6.14958 9.17458 9.14919 numMergedOcc 0
20 mol 186 unq 1 iso 0 dist 5.09756 5.01462 8.90571 5.87342 7.36794 9.11577 numMergedOcc 0
21 mol 186 unq 2 iso 0 dist 5.09756 6.15341 6.61112 6.14958 9.17458 12.2442 numMergedOcc 0
22 mol 186 unq 3 iso 0 dist 5.09756 6.15341 6.61112 5.87342 7.36794 11.7398 numMergedOcc 0
23 mol 198 unq 0 iso 0 dist 8.18482 5.11128 9.31526 8.29433 9.75417 13.1782 numMergedOcc 0
24 mol 205 unq 0 iso 0 dist 6.3407 8.9058 7.21137 12.1876 7.68686 9.8496 numMergedOcc 0
25 mol 205 unq 1 iso 0 dist 6.3407 10.4602 8.4844 12.1876 7.68686 4.69695 numMergedOcc 0
26 mol 222 unq 0 iso 0 dist 7.79613 5.02064 5.56538 13.8153 8.88902 8.89157 numMergedOcc 0
27 mol 222 unq 1 iso 0 dist 9.06892 10.0163 6.74196 7.61394 9.79673 5.17002 numMergedOcc 0
28 mol 222 unq 2 iso 0 dist 9.06892 10.0163 6.74196 8.54017 6.39673 6.70898 numMergedOcc 0
29 mol 222 unq 3 iso 0 dist 8.54373 10.362 8.36842 4.7035 7.80676 6.70898 numMergedOcc 0
30 mol 225 unq 0 iso 0 dist 6.20862 4.72643 8.1945 13.4094 8.74463 14.2198 numMergedOcc 0
31 mol 225 unq 1 iso 0 dist 6.20862 9.6289 6.50998 13.4094 8.74463 9.72811 numMergedOcc 0
32 mol 225 unq 2 iso 0 dist 7.27888 15.1562 8.1945 6.04835 8.74463 14.2198 numMergedOcc 0
33 mol 225 unq 3 iso 0 dist 7.27888 5.92569 6.50998 6.04835 8.74463 9.72811 numMergedOcc 0
34 mol 243 unq 0 iso 0 dist 7.42359 13.504 8.69318 6.56644 9.53137 16.0709 numMergedOcc 0
35 mol 257 unq 0 iso 0 dist 8.76085 9.4018 8.83833 3.92859 7.80473 10.9989 numMergedOcc 0
36 mol 287 unq 0 iso 0 dist 9.51394 6.89449 7.45616 5.28038 4.93516 3.65199 numMergedOcc 0
37 mol 288 unq 0 iso 0 dist 9.51394 6.89449 7.45616 5.28038 4.93516 3.65199 numMergedOcc 0
38 mol 289 unq 0 iso 0 dist 9.51394 6.89449 7.45616 5.28038 4.93516 3.65199 numMergedOcc 0
