0 mol 19 unq 0 iso 0 dist 8.23643 6.92532 6.87842 5.03957 8.73972 6.36455 4.97119 11.3136 6.39966 6.01808 numMergedOcc 0
1 mol 19 unq 1 iso 0 dist 8.73972 6.36455 6.87842 5.03957 8.23643 6.92532 6.01808 11.3136 6.39966 4.97119 numMergedOcc 0
2 mol 19 unq 2 iso 0 dist 6.00439 7.48847 6.34272 7.83352 6.20943 10.1882 6.42867 5.82366 6.39966 4.64838 numMergedOcc 0
3 mol 19 unq 3 iso 0 dist 6.00439 7.48847 6.34272 10.8007 7.82528 6.92532 6.42867 5.82366 6.39966 4.97119 numMergedOcc 0
4 mol 19 unq 4 iso 0 dist 7.82528 6.92532 6.34272 10.8007 6.00439 7.48847 4.97119 5.82366 6.39966 6.42867 numMergedOcc 0
5 mol 19 unq 5 iso 0 dist 7.82528 6.92532 6.34272 7.67038 6.20943 10.1882 4.97119 5.82366 6.39966 4.64838 numMergedOcc 0
6 mol 58 unq 0 iso 0 dist 6.46761 7.27383 9.17656 10.8153 8.63333 14.62 5.85698 9.11258 6.62229 10.2049 numMergedOcc 0
7 mol 58 unq 1 iso 0 dist 6.46761 7.27383 9.17656 8.62958 8.89374 10.9864 5.85698 9.11258 6.62229 5.49591 numMergedOcc 0
8 mol 58 unq 2 iso 0 dist 6.46761 7.27383 9.17656 6.47414 9.73139 12.5444 5.85698 9.11258 6.62229 12.2123 numMergedOcc 0
9 mol 58 unq 3 iso 0 dist 7.58407 7.27383 10.8775 11.0466 6.40841 16.5117 5.85698 12.7653 6.62229 16.7404 numMergedOcc 0
10 mol 58 unq 4 iso 0 dist 7.58407 7.27383 10.8775 6.47414 6.31428 12.5444 5.85698 12.7653 6.62229 12.2123 numMergedOcc 0
11 mol 73 unq 0 iso 0 dist 8.70133 7.04044 11.2505 7.4697 5.64598 13.1821 5.11416 7.10439 6.48232 8.44406 numMergedOcc 0
12 mol 73 unq 1 iso 0 dist 8.70133 7.04044 11.2505 5.4148 4.65521 8.73253 5.11416 7.10439 6.48232 6.56633 numMergedOcc 0
13 mol 73 unq 2 iso 0 dist 4.65521 8.73253 11.2505 5.4148 8.70133 7.04044 6.56633 7.10439 6.48232 5.11416 numMergedOcc 0
14 mol 73 unq 3 iso 0 dist 4.65521 8.73253 11.2505 5.7113 5.64598 13.1821 6.56633 7.10439 6.48232 8.44406 numMergedOcc 0
15 mol 76 unq 0 iso 0 dist 8.19682 4.79949 8.83525 10.2879 6.21982 13.187 4.3931 11.4594 6.66954 12.7241 numMergedOcc 0
16 mol 76 unq 1 iso 0 dist 8.19682 7.27693 5.77727 10.2879 6.21982 11.2278 6.45686 7.03226 9.75201 4.85247 numMergedOcc 0
17 mol 85 unq 0 iso 0 dist 9.47876 7.1589 12.5072 6.9948 7.22293 11.2808 9.29301 10.0297 8.70863 13.5116 numMergedOcc 0
18 mol 114 unq 0 iso 0 dist 8.71128 6.34525 14.3491 5.59517 7.52743 11.6441 12.7083 20.6955 9.35942 15.5344 numMergedOcc 0
19 mol 119 unq 0 iso 0 dist 9.63176 7.77116 8.96522 11.6667 7.39889 14.7025 7.20179 11.8717 8.8562 16.2264 numMergedOcc 0
20 mol 119 unq 1 iso 0 dist 9.63176 7.77116 8.96522 11.6667 7.39889 14.7025 9.89358 15.8603 7.91683 19.552 numMergedOcc 0
21 mol 119 unq 2 iso 0 dist 9.63176 7.77116 8.96522 12.4603 7.44174 13.1741 7.20179 11.8717 8.8562 10.9441 numMergedOcc 0
22 mol 119 unq 3 iso 0 dist 9.63176 7.77116 8.96522 12.4603 7.44174 13.1741 9.89358 15.8603 7.91683 20.1288 numMergedOcc 0
23 mol 126 unq 0 iso 0 dist 7.75534 9.46588 5.83002 7.12167 9.06011 13.4223 6.0268 7.36017 5.94233 10.1326 numMergedOcc 0
24 mol 126 unq 1 iso 0 dist 7.75534 9.46588 5.83002 7.12167 9.06011 13.4223 8.01268 5.14819 8.56219 6.51507 numMergedOcc 0
25 mol 131 unq 0 iso 0 dist 8.6243 8.71039 8.15392 6.63273 6.91348 11.6142 7.92788 10.7802 8.92828 13.1439 numMergedOcc 0
26 mol 131 unq 1 iso 0 dist 8.6243 8.71039 8.15392 6.63273 6.91348 11.6142 8.23791 11.4282 5.56627 13.7237 numMergedOcc 0
27 mol 131 unq 2 iso 0 dist 8.6243 6.92648 6.01893 6.63273 6.91348 9.29384 7.92788 10.7802 5.44303 13.1439 numMergedOcc 0
28 mol 131 unq 3 iso 0 dist 8.6243 6.92648 6.01893 6.63273 6.91348 9.29384 8.23791 11.4282 8.50562 13.7237 numMergedOcc 0
29 mol 131 unq 4 iso 0 dist 6.91348 9.29384 6.01893 6.63273 8.6243 6.92648 13.1439 10.7802 5.44303 7.92788 numMergedOcc 0
30 mol 131 unq 5 iso 0 dist 6.91348 9.29384 6.01893 6.63273 8.6243 6.92648 13.7237 11.4282 8.50562 8.23791 numMergedOcc 0
31 mol 134 unq 0 iso 0 dist 8.79571 8.20836 9.65798 5.49782 5.42582 10.873 4.57832 8.73604 9.30061 5.29786 numMergedOcc 0
32 mol 134 unq 1 iso 0 dist 8.79571 8.20836 9.65798 8.80819 8.6355 13.846 4.57832 8.73604 9.30061 5.71679 numMergedOcc 0
33 mol 141 unq 0 iso 0 dist 6.93652 6.69515 8.00633 5.67306 9.54444 11.0888 10.1386 9.40594 4.46777 13.1138 numMergedOcc 0
34 mol 141 unq 1 iso 0 dist 6.93652 6.69515 8.00633 5.67306 9.54444 11.0888 7.42649 5.26989 6.94988 8.39549 numMergedOcc 0
35 mol 194 unq 0 iso 0 dist 6.95408 6.96521 4.05564 8.2172 9.57538 11.3758 5.43725 9.86703 7.74683 10.0597 numMergedOcc 0
36 mol 194 unq 1 iso 0 dist 6.95408 6.96521 4.05564 10.5623 9.2285 12.3049 5.43725 9.86703 7.74683 13.5246 numMergedOcc 0
37 mol 194 unq 2 iso 0 dist 6.95408 6.96521 4.05564 11.7618 7.58278 11.1778 5.43725 9.86703 7.74683 14.8824 numMergedOcc 0
38 mol 194 unq 3 iso 0 dist 6.47873 6.26839 6.8278 8.48054 8.38695 8.2654 11.6598 11.4415 5.68348 12.8755 numMergedOcc 0
39 mol 194 unq 4 iso 0 dist 8.38695 8.2654 6.8278 8.48054 6.47873 6.26839 12.8755 11.4415 5.68348 11.6598 numMergedOcc 0
