0 mol 5 unq 0 iso 0 dist 6.14476 4.70478 8.34817 13.9409 9.70883 13.2371 10.9683 4.84696 12.4698 7.64769 numMergedOcc 0
1 mol 5 unq 1 iso 0 dist 6.14476 4.70478 8.34817 13.9409 9.70883 13.2371 10.7636 5.30421 11.4791 8.68577 numMergedOcc 0
2 mol 79 unq 0 iso 0 dist 5.25027 5.80367 7.92114 3.83059 4.15789 4.69555 4.37025 5.30569 8.8955 4.808 numMergedOcc 0
3 mol 79 unq 1 iso 0 dist 5.25027 10.1442 8.18375 3.83059 4.15789 6.49084 4.37025 5.30569 10.6844 4.808 numMergedOcc 0
4 mol 85 unq 0 iso 0 dist 7.69926 6.92455 4.29937 6.35602 6.67137 3.65186 5.85237 2.58673 5.37869 7.04244 numMergedOcc 0
5 mol 85 unq 1 iso 0 dist 7.69926 6.92455 4.29937 13.5979 9.78707 12.2971 5.85237 2.58673 5.37869 9.63449 numMergedOcc 0
6 mol 85 unq 2 iso 0 dist 7.69926 7.01366 3.65628 6.35602 6.67137 7.00044 5.85237 2.58673 4.05415 7.04244 numMergedOcc 0
7 mol 85 unq 3 iso 0 dist 7.69926 7.01366 3.65628 13.5979 9.78707 8.64367 5.85237 2.58673 4.05415 9.63449 numMergedOcc 0
8 mol 85 unq 4 iso 0 dist 7.69926 14.8822 9.77774 6.35602 6.67137 16.1804 5.85237 2.58673 9.97944 7.04244 numMergedOcc 0
9 mol 85 unq 5 iso 0 dist 7.69926 14.8822 9.77774 13.5979 9.78707 3.21259 5.85237 2.58673 9.97944 9.63449 numMergedOcc 0
10 mol 85 unq 6 iso 0 dist 5.85237 6.92455 5.37869 6.35602 7.04244 3.65186 7.69926 2.58673 4.29937 6.67137 numMergedOcc 0
11 mol 85 unq 7 iso 0 dist 5.85237 6.92455 5.37869 13.5979 9.63449 12.2971 7.69926 2.58673 4.29937 9.78707 numMergedOcc 0
12 mol 85 unq 8 iso 0 dist 5.85237 7.01366 4.05415 6.35602 7.04244 7.00044 7.69926 2.58673 3.65628 6.67137 numMergedOcc 0
13 mol 85 unq 9 iso 0 dist 5.85237 7.01366 4.05415 13.5979 9.63449 8.64367 7.69926 2.58673 3.65628 9.78707 numMergedOcc 0
14 mol 85 unq 10 iso 0 dist 5.85237 14.8822 9.97944 6.35602 7.04244 16.1804 7.69926 2.58673 9.77774 6.67137 numMergedOcc 0
15 mol 85 unq 11 iso 0 dist 5.85237 14.8822 9.97944 13.5979 9.63449 3.21259 7.69926 2.58673 9.77774 9.78707 numMergedOcc 0
16 mol 85 unq 12 iso 0 dist 9.11768 8.32224 5.37869 10.5854 7.04244 3.65186 9.7173 2.58673 4.29937 6.67137 numMergedOcc 0
17 mol 85 unq 13 iso 0 dist 9.11768 8.32224 5.37869 10.0606 9.63449 12.2971 9.7173 2.58673 4.29937 9.78707 numMergedOcc 0
18 mol 85 unq 14 iso 0 dist 9.11768 6.15019 4.05415 10.5854 7.04244 7.00044 9.7173 2.58673 3.65628 6.67137 numMergedOcc 0
19 mol 85 unq 15 iso 0 dist 9.11768 6.15019 4.05415 10.0606 9.63449 8.64367 9.7173 2.58673 3.65628 9.78707 numMergedOcc 0
20 mol 85 unq 16 iso 0 dist 9.11768 12.6518 9.97944 10.5854 7.04244 16.1804 9.7173 2.58673 9.77774 6.67137 numMergedOcc 0
21 mol 85 unq 17 iso 0 dist 9.11768 12.6518 9.97944 10.0606 9.63449 3.21259 9.7173 2.58673 9.77774 9.78707 numMergedOcc 0
22 mol 115 unq 0 iso 0 dist 6.19918 4.03602 9.45013 4.18693 6.21029 7.30495 5.93278 3.19822 9.81886 5.86379 numMergedOcc 0
23 mol 115 unq 1 iso 0 dist 6.19918 4.03602 9.45013 7.41059 8.16325 9.57858 5.93278 3.19822 9.81886 8.64686 numMergedOcc 0
24 mol 120 unq 0 iso 0 dist 8.38358 7.64591 9.98772 3.824 6.98791 4.5296 7.53694 5.26524 12.1141 7.84207 numMergedOcc 0
25 mol 123 unq 0 iso 0 dist 8.111 4.1335 4.14492 12.5368 8.03692 10.3919 12.3048 8.77423 10.3616 8.78115 numMergedOcc 0
26 mol 147 unq 0 iso 0 dist 8.39897 8.57851 7.7464 7.06219 3.82583 5.19008 10.8483 4.68125 10.735 8.25768 numMergedOcc 0
27 mol 147 unq 1 iso 0 dist 8.39897 8.57851 7.7464 4.19634 5.19116 5.27556 10.8483 4.68125 10.735 8.71702 numMergedOcc 0
28 mol 147 unq 2 iso 0 dist 8.39897 10.5361 5.12272 7.06219 3.82583 3.7729 10.8483 4.68125 8.7121 8.25768 numMergedOcc 0
29 mol 147 unq 3 iso 0 dist 8.39897 10.5361 5.12272 4.19634 5.19116 6.34165 10.8483 4.68125 8.7121 8.71702 numMergedOcc 0
30 mol 147 unq 4 iso 0 dist 9.03078 9.14906 7.7464 6.04074 3.82583 5.19008 13.4973 4.68125 10.735 8.25768 numMergedOcc 0
31 mol 147 unq 5 iso 0 dist 9.03078 9.14906 7.7464 6.24579 5.19116 5.27556 13.4973 4.68125 10.735 8.71702 numMergedOcc 0
32 mol 147 unq 6 iso 0 dist 9.03078 8.88819 5.12272 6.04074 3.82583 3.7729 13.4973 4.68125 8.7121 8.25768 numMergedOcc 0
33 mol 147 unq 7 iso 0 dist 9.03078 8.88819 5.12272 6.24579 5.19116 6.34165 13.4973 4.68125 8.7121 8.71702 numMergedOcc 0
34 mol 186 unq 0 iso 0 dist 5.90765 3.90244 8.92135 12.1883 7.25595 14.4913 12.038 6.13455 14.8336 4.87942 numMergedOcc 0
35 mol 194 unq 0 iso 0 dist 9.52922 10.0756 4.45769 12.8006 5.10542 9.23342 11.7672 3.78714 5.89939 4.68722 numMergedOcc 0
36 mol 194 unq 1 iso 0 dist 9.52922 16.4082 8.99961 12.8006 5.10542 11.7699 11.7672 3.78714 8.18853 4.68722 numMergedOcc 0
37 mol 194 unq 2 iso 0 dist 9.38984 13.9836 5.89939 11.6641 4.68722 9.23342 13.001 3.78714 4.45769 5.10542 numMergedOcc 0
38 mol 194 unq 3 iso 0 dist 9.38984 13.9116 8.18853 11.6641 4.68722 11.7699 13.001 3.78714 8.99961 5.10542 numMergedOcc 0
39 mol 194 unq 4 iso 0 dist 9.91118 15.5573 5.89939 10.0534 4.68722 9.23342 13.1712 3.78714 4.45769 5.10542 numMergedOcc 0
40 mol 194 unq 5 iso 0 dist 9.91118 16.1172 8.18853 10.0534 4.68722 11.7699 13.1712 3.78714 8.99961 5.10542 numMergedOcc 0
41 mol 277 unq 0 iso 0 dist 7.42932 4.40029 5.13533 14.2348 7.98956 10.5214 10.5562 3.41319 8.0969 5.86185 numMergedOcc 0
42 mol 277 unq 1 iso 0 dist 7.42932 4.40029 5.13533 14.2348 7.98956 10.5214 18.6403 13.9697 14.9526 6.79748 numMergedOcc 0
43 mol 277 unq 2 iso 0 dist 4.9764 3.97543 5.13533 7.75371 7.98956 10.5214 6.36559 3.41319 8.0969 5.86185 numMergedOcc 0
44 mol 277 unq 3 iso 0 dist 4.9764 3.97543 5.13533 7.75371 7.98956 10.5214 11.5669 13.9697 14.9526 6.79748 numMergedOcc 0
