0 mol 11 unq 0 iso 0 dist 9.04534 5.71129 6.58046 10.2507 13.0674 6.79478 numMergedOcc 0
1 mol 34 unq 0 iso 0 dist 7.36836 5.66535 9.99939 9.18109 15.1968 6.87871 numMergedOcc 0
2 mol 73 unq 0 iso 0 dist 8.4515 3.97569 6.23522 13.5192 8.0072 9.68526 numMergedOcc 0
3 mol 73 unq 1 iso 0 dist 8.4515 3.97569 6.23522 13.635 9.61302 9.72442 numMergedOcc 0
4 mol 92 unq 0 iso 0 dist 5.04673 4.73713 5.42067 8.6716 3.68007 7.86724 numMergedOcc 0
5 mol 119 unq 0 iso 0 dist 8.42225 15.0071 7.60162 16.0778 8.99475 9.93703 numMergedOcc 0
6 mol 122 unq 0 iso 0 dist 6.80798 4.42285 4.42563 10.8176 12.2092 8.33083 numMergedOcc 0
7 mol 129 unq 0 iso 0 dist 7.84813 5.56946 7.97548 8.63018 6.14663 6.29026 numMergedOcc 0
8 mol 133 unq 0 iso 0 dist 4.82356 4.84607 5.78814 6.85651 3.75786 8.84018 numMergedOcc 0
9 mol 133 unq 1 iso 0 dist 8.83476 11.981 5.78814 7.03858 3.75786 8.84018 numMergedOcc 0
10 mol 147 unq 0 iso 0 dist 8.76449 6.91778 6.73617 6.00651 6.99467 9.18866 numMergedOcc 0
11 mol 147 unq 1 iso 0 dist 8.36182 6.91778 9.03544 6.00651 4.53687 9.18866 numMergedOcc 0
12 mol 162 unq 0 iso 0 dist 9.067 6.46702 7.93088 9.51731 3.57652 9.82249 numMergedOcc 0
13 mol 180 unq 0 iso 0 dist 7.58661 6.54937 9.63576 5.43774 6.15473 8.44989 numMergedOcc 0
14 mol 180 unq 1 iso 0 dist 5.81023 6.91082 9.63576 8.31061 6.15473 8.44989 numMergedOcc 0
15 mol 180 unq 2 iso 0 dist 7.80553 10.1423 9.63576 9.91767 6.15473 8.44989 numMergedOcc 0
16 mol 183 unq 0 iso 0 dist 7.16035 10.0008 9.96536 9.92635 10.7786 7.31181 numMergedOcc 0
17 mol 183 unq 1 iso 0 dist 9.61725 9.95614 9.96536 7.85507 10.7786 7.31181 numMergedOcc 0
18 mol 183 unq 2 iso 0 dist 9.01531 9.81623 9.96536 15.2398 10.7786 7.31181 numMergedOcc 0
19 mol 205 unq 0 iso 0 dist 8.93485 4.2475 9.31158 10.7582 14.8213 8.43584 numMergedOcc 0
20 mol 205 unq 1 iso 0 dist 5.66636 6.8901 9.31158 13.5379 14.8213 8.43584 numMergedOcc 0
21 mol 210 unq 0 iso 0 dist 9.25184 3.84723 6.85824 9.97171 8.81074 9.67457 numMergedOcc 0
22 mol 213 unq 0 iso 0 dist 7.49754 4.67262 4.66576 5.01229 5.36904 4.58599 numMergedOcc 0
23 mol 213 unq 1 iso 0 dist 7.49754 4.67262 4.66576 10.5969 4.84414 8.78568 numMergedOcc 0
24 mol 232 unq 0 iso 0 dist 8.54126 5.70808 8.60731 6.11539 3.79439 8.68464 numMergedOcc 0
25 mol 232 unq 1 iso 0 dist 7.64079 4.86949 8.60731 9.71082 3.79439 8.68464 numMergedOcc 0
26 mol 258 unq 0 iso 0 dist 6.61322 9.07364 8.03012 10.3095 8.9947 5.73296 numMergedOcc 0
27 mol 258 unq 1 iso 0 dist 9.60767 11.6193 5.4557 17.4373 9.93118 5.81927 numMergedOcc 0
28 mol 274 unq 0 iso 0 dist 8.25703 10.6892 8.12739 15.5445 12.2201 9.02749 numMergedOcc 0
29 mol 283 unq 0 iso 0 dist 9.35302 4.44211 9.07995 7.90132 7.27864 9.53225 numMergedOcc 0
30 mol 285 unq 0 iso 0 dist 5.28731 4.16039 5.03601 12.3495 10.6606 8.71213 numMergedOcc 0
31 mol 294 unq 0 iso 0 dist 7.48987 5.57606 7.56669 10.7501 5.71856 9.70907 numMergedOcc 0
32 mol 294 unq 1 iso 0 dist 7.48987 5.57606 7.56669 5.27236 4.99494 6.47832 numMergedOcc 0
