0 mol 11 unq 0 iso 0 dist 4.61088 6.84216 9.68636 8.05213 12.2274 4.79838 14.7815 17.503 10.7048 9.53002 numMergedOcc 0
1 mol 19 unq 0 iso 0 dist 4.51865 7.7312 4.44441 4.69858 6.20943 6.38574 9.56313 7.83352 4.23427 6.00439 numMergedOcc 0
2 mol 19 unq 1 iso 0 dist 4.51865 7.7312 4.44441 4.69858 6.20943 6.38574 6.864 7.67038 10.0411 7.82528 numMergedOcc 0
3 mol 19 unq 2 iso 0 dist 6.864 7.7312 10.0411 4.69858 7.82528 6.38574 9.56313 10.8007 4.23427 6.00439 numMergedOcc 0
4 mol 19 unq 3 iso 0 dist 6.864 7.7312 10.0411 4.69858 7.82528 6.38574 4.51865 7.67038 4.44441 6.20943 numMergedOcc 0
5 mol 45 unq 0 iso 0 dist 7.58835 8.27463 5.84319 5.67689 6.34173 9.44125 11.2563 5.24762 9.89212 7.06308 numMergedOcc 0
6 mol 45 unq 1 iso 0 dist 7.58835 8.27463 5.84319 5.67689 6.34173 9.44125 11.5838 5.101 6.16709 9.43442 numMergedOcc 0
7 mol 58 unq 0 iso 0 dist 6.81627 7.4785 4.25144 5.98837 8.26899 5.48837 12.0187 7.08557 4.57635 9.33535 numMergedOcc 0
8 mol 58 unq 1 iso 0 dist 7.32874 8.34191 8.44881 4.55117 8.26899 8.88313 10.1508 7.08557 4.63196 9.33535 numMergedOcc 0
9 mol 58 unq 2 iso 0 dist 7.32874 6.39747 4.25144 4.55117 8.26899 5.48837 10.1508 7.08557 4.57635 9.33535 numMergedOcc 0
10 mol 58 unq 3 iso 0 dist 6.64012 6.79356 5.87468 6.61756 10.9283 8.98478 10.3224 9.94737 4.59417 9.58673 numMergedOcc 0
11 mol 59 unq 0 iso 0 dist 8.95999 8.30217 9.65136 14.9359 16.9839 7.92479 19.1676 18.6468 11.6713 6.23899 numMergedOcc 0
12 mol 73 unq 0 iso 0 dist 9.38498 6.23522 4.73407 13.4082 8.70133 7.78587 8.9232 7.4697 3.85805 5.64598 numMergedOcc 0
13 mol 73 unq 1 iso 0 dist 9.38498 6.23522 4.73407 13.4082 8.70133 7.78587 10.2049 5.4148 5.17781 4.65521 numMergedOcc 0
14 mol 73 unq 2 iso 0 dist 5.93252 9.10566 3.85805 9.77992 5.64598 7.78587 13.1662 7.4697 4.73407 8.70133 numMergedOcc 0
15 mol 73 unq 3 iso 0 dist 5.93252 9.10566 3.85805 9.77992 5.64598 7.78587 11.379 5.7113 5.17781 4.65521 numMergedOcc 0
16 mol 75 unq 0 iso 0 dist 7.79912 9.16597 4.74027 10.0425 5.15851 7.30467 11.673 9.02771 7.30118 6.33365 numMergedOcc 0
17 mol 114 unq 0 iso 0 dist 7.5732 9.93438 6.25685 9.2907 11.641 9.26486 10.1937 8.94198 10.5728 8.68821 numMergedOcc 0
18 mol 114 unq 1 iso 0 dist 7.5732 9.93438 6.25685 9.2907 11.641 9.26486 12.4727 9.91282 5.74761 7.12609 numMergedOcc 0
19 mol 127 unq 0 iso 0 dist 8.14887 5.39356 10.2024 4.77464 11.7714 7.79077 9.30299 7.30196 12.7606 9.81878 numMergedOcc 0
20 mol 142 unq 0 iso 0 dist 9.2313 8.04118 4.05822 9.49653 7.15475 5.69323 5.31024 5.32922 4.7832 9.07935 numMergedOcc 0
21 mol 142 unq 1 iso 0 dist 5.31024 8.04118 4.7832 9.49653 9.07935 5.69323 9.2313 5.32922 4.05822 7.15475 numMergedOcc 0
22 mol 142 unq 2 iso 0 dist 7.73169 8.39035 4.05822 7.53854 7.15475 5.69323 7.26382 5.32922 4.7832 9.07935 numMergedOcc 0
23 mol 142 unq 3 iso 0 dist 7.26382 8.39035 4.7832 7.53854 9.07935 5.69323 7.73169 5.32922 4.05822 7.15475 numMergedOcc 0
24 mol 181 unq 0 iso 0 dist 7.63312 8.29467 13.2274 6.7991 10.1232 6.91878 7.81386 8.85576 6.13927 4.93785 numMergedOcc 0
