0 mol 68 unq 0 iso 0 dist 9.87699 5.75753 8.71074 3.56619 7.7485 7.18877 10.1926 12.8321 5.64092 12.4458 numMergedOcc 0
1 mol 79 unq 0 iso 0 dist 7.38548 6.0749 4.74254 5.79629 6.20144 7.19532 8.33791 5.63083 4.78333 10.5441 numMergedOcc 0
2 mol 83 unq 0 iso 0 dist 8.99451 10.5584 5.35861 8.98065 7.50925 3.62753 14.5056 5.72008 8.61641 11.9491 numMergedOcc 0
3 mol 83 unq 1 iso 0 dist 8.99451 10.5584 5.35861 13.9971 6.96722 3.65203 14.5056 5.72008 8.61641 7.61085 numMergedOcc 0
4 mol 85 unq 0 iso 0 dist 9.13593 10.797 4.29937 13.6534 6.67137 3.65186 8.25144 2.58673 5.37869 7.04244 numMergedOcc 0
5 mol 85 unq 1 iso 0 dist 9.13593 10.797 4.29937 3.93938 9.78707 12.2971 8.25144 2.58673 5.37869 9.63449 numMergedOcc 0
6 mol 85 unq 2 iso 0 dist 9.13593 7.04693 3.65628 13.6534 6.67137 7.00044 8.25144 2.58673 4.05415 7.04244 numMergedOcc 0
7 mol 85 unq 3 iso 0 dist 9.13593 7.04693 3.65628 3.93938 9.78707 8.64367 8.25144 2.58673 4.05415 9.63449 numMergedOcc 0
8 mol 85 unq 4 iso 0 dist 9.13593 6.7475 9.77774 13.6534 6.67137 16.1804 8.25144 2.58673 9.97944 7.04244 numMergedOcc 0
9 mol 85 unq 5 iso 0 dist 9.13593 6.7475 9.77774 3.93938 9.78707 3.21259 8.25144 2.58673 9.97944 9.63449 numMergedOcc 0
10 mol 85 unq 6 iso 0 dist 8.25144 10.797 5.37869 9.66391 7.07839 10.0372 9.13593 2.58673 4.29937 9.52926 numMergedOcc 0
11 mol 85 unq 7 iso 0 dist 8.25144 10.797 5.37869 13.6534 7.04244 3.65186 9.13593 2.58673 4.29937 6.67137 numMergedOcc 0
12 mol 85 unq 8 iso 0 dist 8.25144 10.797 5.37869 11.6517 7.91193 11.7094 9.13593 2.58673 4.29937 10.4386 numMergedOcc 0
13 mol 85 unq 9 iso 0 dist 8.25144 10.797 5.37869 3.93938 9.63449 12.2971 9.13593 2.58673 4.29937 9.78707 numMergedOcc 0
14 mol 85 unq 10 iso 0 dist 8.25144 10.797 5.37869 15.6454 9.09711 11.8779 9.13593 2.58673 4.29937 10.9264 numMergedOcc 0
15 mol 85 unq 11 iso 0 dist 8.25144 7.04693 4.05415 9.66391 7.07839 8.78995 9.13593 2.58673 3.65628 9.52926 numMergedOcc 0
16 mol 85 unq 12 iso 0 dist 8.25144 7.04693 4.05415 13.6534 7.04244 7.00044 9.13593 2.58673 3.65628 6.67137 numMergedOcc 0
17 mol 85 unq 13 iso 0 dist 8.25144 7.04693 4.05415 11.6517 7.91193 10.7591 9.13593 2.58673 3.65628 10.4386 numMergedOcc 0
18 mol 85 unq 14 iso 0 dist 8.25144 7.04693 4.05415 3.93938 9.63449 8.64367 9.13593 2.58673 3.65628 9.78707 numMergedOcc 0
19 mol 85 unq 15 iso 0 dist 8.25144 7.04693 4.05415 15.6454 9.09711 12.4835 9.13593 2.58673 3.65628 10.9264 numMergedOcc 0
20 mol 85 unq 16 iso 0 dist 8.25144 6.7475 9.97944 9.66391 7.07839 14.2664 9.13593 2.58673 9.77774 9.52926 numMergedOcc 0
21 mol 85 unq 17 iso 0 dist 8.25144 6.7475 9.97944 13.6534 7.04244 16.1804 9.13593 2.58673 9.77774 6.67137 numMergedOcc 0
22 mol 85 unq 18 iso 0 dist 8.25144 6.7475 9.97944 11.6517 7.91193 15.1209 9.13593 2.58673 9.77774 10.4386 numMergedOcc 0
23 mol 85 unq 19 iso 0 dist 8.25144 6.7475 9.97944 3.93938 9.63449 3.21259 9.13593 2.58673 9.77774 9.78707 numMergedOcc 0
24 mol 85 unq 20 iso 0 dist 8.25144 6.7475 9.97944 15.6454 9.09711 17.9023 9.13593 2.58673 9.77774 10.9264 numMergedOcc 0
25 mol 107 unq 0 iso 0 dist 7.89505 3.79393 9.09262 8.49625 8.19484 5.88785 10.5526 13.5807 7.91251 8.88124 numMergedOcc 0
26 mol 113 unq 0 iso 0 dist 5.35711 3.84573 4.30875 3.52111 7.02358 3.52445 11.8845 9.78508 8.65807 11.6135 numMergedOcc 0
27 mol 168 unq 0 iso 0 dist 6.12453 12.6805 7.0961 8.8681 5.86767 6.06538 9.87447 5.29906 8.26768 10.293 numMergedOcc 0
28 mol 168 unq 1 iso 0 dist 6.12453 12.6805 7.0961 3.73181 5.28353 10.919 9.87447 5.29906 8.26768 10.3204 numMergedOcc 0
29 mol 169 unq 0 iso 0 dist 5.41121 3.95773 4.11374 3.83687 6.96715 3.59996 11.7722 9.48187 8.37602 11.3131 numMergedOcc 0
30 mol 169 unq 1 iso 0 dist 7.85698 7.40692 7.65903 6.28646 5.10589 3.18152 10.573 5.23644 5.97653 4.63336 numMergedOcc 0
31 mol 169 unq 2 iso 0 dist 7.85698 7.40692 7.65903 6.28646 5.10589 3.18152 11.9922 7.52063 7.75523 6.10715 numMergedOcc 0
32 mol 169 unq 3 iso 0 dist 6.35799 9.68109 7.65903 7.83748 5.10589 3.18152 10.8214 5.23644 5.97653 4.63336 numMergedOcc 0
33 mol 169 unq 4 iso 0 dist 6.35799 9.68109 7.65903 7.83748 5.10589 3.18152 12.7569 7.52063 7.75523 6.10715 numMergedOcc 0
34 mol 214 unq 0 iso 0 dist 5.05626 3.94038 8.49349 6.28944 8.66082 4.84709 8.41013 10.5332 6.50654 7.96338 numMergedOcc 0
35 mol 214 unq 1 iso 0 dist 8.41013 3.94038 6.50654 6.28944 7.96338 4.84709 5.05626 10.5332 8.49349 8.66082 numMergedOcc 0
36 mol 214 unq 2 iso 0 dist 8.41013 3.94038 6.50654 7.23583 7.42759 4.16963 5.05626 10.5332 8.49349 10.7359 numMergedOcc 0
37 mol 285 unq 0 iso 0 dist 8.79261 6.3633 4.27826 8.78384 5.88958 3.14843 9.99125 4.87372 5.82074 7.78121 numMergedOcc 0
38 mol 285 unq 1 iso 0 dist 9.99125 6.3633 5.82074 8.78384 7.78121 3.14843 8.79261 4.87372 4.27826 5.88958 numMergedOcc 0
