0 mol 0 unq 0 iso 0 dist 9.94618 6.94181 14.0556 5.47921 15.3785 7.15528 12.4868 22.2964 13.3337 7.37981 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 9.94618 6.94181 14.0556 5.47921 15.3785 7.15528 10.9707 19.7867 6.83587 7.19621 numMergedOcc 0
2 mol 7 unq 0 iso 0 dist 9.58865 7.32392 8.54694 15.5277 13.7966 9.60499 19.9982 20.5975 13.823 8.23909 numMergedOcc 0
3 mol 7 unq 1 iso 0 dist 9.58865 7.32392 8.54694 15.5277 13.7966 9.60499 11.5036 7.65358 5.38502 6.72215 numMergedOcc 0
4 mol 7 unq 2 iso 0 dist 6.0323 7.15434 5.70161 11.2706 12.2471 7.10621 12.9667 10.2796 6.09254 7.21217 numMergedOcc 0
5 mol 54 unq 0 iso 0 dist 6.10175 6.54183 10.1356 5.65405 5.59773 8.10861 10.4186 5.42328 12.4254 6.59893 numMergedOcc 0
6 mol 73 unq 0 iso 0 dist 7.84699 8.124 5.2774 13.4367 6.89722 6.19304 8.40844 5.47475 5.44275 7.26679 numMergedOcc 0
7 mol 73 unq 1 iso 0 dist 8.40844 8.124 5.44275 13.4367 7.26679 6.19304 7.84699 5.47475 5.2774 6.89722 numMergedOcc 0
8 mol 73 unq 2 iso 0 dist 6.99156 8.124 8.0624 13.4367 10.1503 6.19304 7.84699 5.05066 5.2774 6.89722 numMergedOcc 0
9 mol 73 unq 3 iso 0 dist 6.99156 8.124 8.0624 13.4367 10.1503 6.19304 8.40844 4.4628 5.44275 7.26679 numMergedOcc 0
10 mol 73 unq 4 iso 0 dist 7.02351 8.16299 11.2674 10.3774 7.26679 8.70481 12.1654 5.47475 13.9156 6.89722 numMergedOcc 0
11 mol 102 unq 0 iso 0 dist 7.73836 9.84673 6.42572 5.09542 9.01767 7.36792 10.8539 7.56811 5.54551 9.80678 numMergedOcc 0
12 mol 115 unq 0 iso 0 dist 8.16113 6.04412 5.71451 5.24229 8.81562 4.99221 9.69719 5.77823 5.889 6.86946 numMergedOcc 0
13 mol 119 unq 0 iso 0 dist 7.26463 8.88255 9.35307 10.5726 15.5753 8.73993 13.776 19.5709 14.0677 9.42766 numMergedOcc 0
14 mol 156 unq 0 iso 0 dist 6.67598 7.11647 5.75141 5.59399 10.6034 7.66148 8.79185 10.7024 5.70205 6.71202 numMergedOcc 0
15 mol 156 unq 1 iso 0 dist 8.98636 9.19499 8.58765 5.66289 12.0043 7.44554 6.67598 5.58471 5.0966 7.30021 numMergedOcc 0
16 mol 156 unq 2 iso 0 dist 8.98636 7.11647 5.6208 5.59399 10.2601 7.66148 8.79185 10.9842 5.70205 6.71202 numMergedOcc 0
17 mol 156 unq 3 iso 0 dist 8.98636 7.11647 5.6208 5.66289 12.0043 8.94056 6.67598 5.58471 5.75141 7.30021 numMergedOcc 0
18 mol 156 unq 4 iso 0 dist 8.79185 9.19499 9.07974 5.66289 10.0734 7.44554 6.67598 10.7024 5.0966 7.30021 numMergedOcc 0
19 mol 156 unq 5 iso 0 dist 8.79185 7.11647 5.70205 5.66289 10.0734 8.94056 6.67598 10.7024 5.75141 7.30021 numMergedOcc 0
20 mol 156 unq 6 iso 0 dist 9.41152 7.98018 4.7382 4.68187 12.6493 9.83699 11.5769 16.7819 12.865 7.30021 numMergedOcc 0
21 mol 181 unq 0 iso 0 dist 8.03259 8.90247 6.94401 14.0828 14.2663 8.03334 17.8457 14.2925 9.60754 7.44191 numMergedOcc 0
22 mol 181 unq 1 iso 0 dist 8.03259 8.90247 6.94401 14.0828 14.2663 8.03334 18.32 18.0236 11.1879 6.00053 numMergedOcc 0
23 mol 224 unq 0 iso 0 dist 8.68767 9.73411 14.3302 14.1073 20.6047 8.95269 18.7994 24.1659 14.2632 6.56437 numMergedOcc 0
24 mol 224 unq 1 iso 0 dist 8.68767 9.73411 14.3302 14.1073 20.6047 8.95269 19.6107 26.5654 15.0038 6.23882 numMergedOcc 0
25 mol 224 unq 2 iso 0 dist 8.68767 9.73411 14.3302 14.1073 20.6047 8.95269 18.4968 21.8639 9.59595 9.53131 numMergedOcc 0
26 mol 224 unq 3 iso 0 dist 8.68767 9.73411 14.3302 14.1073 20.6047 8.95269 15.0577 19.7368 5.63485 9.34636 numMergedOcc 0
27 mol 224 unq 4 iso 0 dist 8.68767 9.73411 14.3302 9.81806 15.9877 6.57273 15.0577 19.7368 5.63485 9.79616 numMergedOcc 0
28 mol 224 unq 5 iso 0 dist 8.68767 9.73411 14.3302 5.99647 12.7282 5.78342 13.2758 15.5623 4.8786 9.29703 numMergedOcc 0
29 mol 224 unq 6 iso 0 dist 8.68767 7.75485 9.74911 5.99647 12.7282 5.81334 13.2758 15.5623 6.38066 9.29703 numMergedOcc 0
30 mol 224 unq 7 iso 0 dist 7.7163 7.07564 5.63485 11.8217 9.34636 8.95269 18.3068 14.4585 14.2632 6.56437 numMergedOcc 0
31 mol 224 unq 8 iso 0 dist 7.7163 7.07564 5.63485 11.8217 9.34636 8.95269 16.4902 14.027 15.0038 6.23882 numMergedOcc 0
32 mol 224 unq 9 iso 0 dist 7.7163 7.07564 5.63485 11.8217 9.34636 8.95269 14.6367 7.4034 9.59595 9.53131 numMergedOcc 0
33 mol 224 unq 10 iso 0 dist 7.7163 7.07564 5.63485 5.44863 10.0081 5.78342 9.2 5.75133 4.8786 9.29703 numMergedOcc 0
34 mol 224 unq 11 iso 0 dist 7.7163 9.11052 10.3532 5.44863 10.0081 5.81334 9.2 5.75133 6.38066 9.29703 numMergedOcc 0
35 mol 224 unq 12 iso 0 dist 9.2 7.07564 4.8786 11.8217 12.8171 8.95269 18.3068 17.4513 14.2632 6.56437 numMergedOcc 0
36 mol 224 unq 13 iso 0 dist 9.2 7.07564 4.8786 11.8217 12.8171 8.95269 16.4902 18.5015 15.0038 6.23882 numMergedOcc 0
37 mol 224 unq 14 iso 0 dist 9.2 7.07564 4.8786 11.8217 12.8171 8.95269 14.6367 9.46842 9.59595 9.53131 numMergedOcc 0
38 mol 224 unq 15 iso 0 dist 9.2 7.07564 4.8786 11.8217 12.8171 8.95269 7.7163 5.75133 5.63485 9.34636 numMergedOcc 0
39 mol 224 unq 16 iso 0 dist 9.2 7.07564 4.8786 10.8463 11.1052 6.57273 7.7163 5.75133 5.63485 9.79616 numMergedOcc 0
40 mol 230 unq 0 iso 0 dist 6.73755 5.62804 5.26217 6.33989 10.6474 6.7547 5.00735 5.38279 7.07028 8.43766 numMergedOcc 0
41 mol 259 unq 0 iso 0 dist 7.4294 5.75874 6.9607 5.20592 10.3594 8.53687 9.16548 11.4197 7.55268 6.77279 numMergedOcc 0
42 mol 259 unq 1 iso 0 dist 8.37253 5.75874 6.68041 5.20592 12.6542 8.53687 9.16548 13.2858 7.55268 6.77279 numMergedOcc 0
43 mol 274 unq 0 iso 0 dist 8.99974 8.78883 8.19222 7.48637 14.4561 9.10818 12.136 14.544 6.57235 7.80446 numMergedOcc 0
44 mol 274 unq 1 iso 0 dist 8.99974 8.78883 8.19222 7.48637 14.4561 9.10818 5.68643 4.94221 4.97216 9.91395 numMergedOcc 0
45 mol 274 unq 2 iso 0 dist 5.68643 8.78883 4.97216 7.48637 9.91395 9.10818 12.136 10.3541 6.57235 7.80446 numMergedOcc 0
46 mol 274 unq 3 iso 0 dist 8.36043 8.78883 10.2686 7.48637 13.4473 9.10818 12.136 14.1741 6.57235 7.80446 numMergedOcc 0
47 mol 274 unq 4 iso 0 dist 8.36043 8.78883 10.2686 7.48637 13.4473 9.10818 5.68643 6.01628 4.97216 9.91395 numMergedOcc 0
48 mol 280 unq 0 iso 0 dist 9.047 8.80588 14.1091 5.80223 13.1827 6.0664 9.9227 11.5166 4.95798 8.85762 numMergedOcc 0
