0 mol 13 unq 0 iso 0 dist 9.92193 5.83624 6.791 5.87938 7.42612 8.27119 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 8.13365 6.77987 10.2876 6.50899 12.666 8.31631 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 6.80849 6.74914 4.79736 8.20543 11.6267 8.85286 numMergedOcc 0
3 mol 38 unq 0 iso 0 dist 9.70612 6.12374 10.622 4.46801 7.68478 7.00717 numMergedOcc 0
4 mol 38 unq 1 iso 0 dist 6.46781 6.12374 6.10572 4.46801 6.87122 7.00717 numMergedOcc 0
5 mol 38 unq 2 iso 0 dist 8.19077 6.12374 4.40004 4.46801 10.434 7.00717 numMergedOcc 0
6 mol 62 unq 0 iso 0 dist 9.27092 8.09973 5.68906 3.66673 9.81276 7.16844 numMergedOcc 0
7 mol 76 unq 0 iso 0 dist 9.32453 8.25047 6.77898 8.58059 10.985 5.45099 numMergedOcc 0
8 mol 76 unq 1 iso 0 dist 9.32453 8.25047 6.77898 14.7497 12.8435 8.44765 numMergedOcc 0
9 mol 76 unq 2 iso 0 dist 9.32453 8.25047 6.77898 14.3572 10.6942 9.06643 numMergedOcc 0
10 mol 79 unq 0 iso 0 dist 7.79726 8.52697 5.09159 8.47393 12.4904 9.04293 numMergedOcc 0
11 mol 91 unq 0 iso 0 dist 8.00525 6.64714 12.6799 9.46631 17.2244 7.71625 numMergedOcc 0
12 mol 93 unq 0 iso 0 dist 9.10877 9.43355 10.8106 13.6305 17.12 6.67678 numMergedOcc 0
13 mol 93 unq 1 iso 0 dist 9.10877 9.43355 10.8106 14.1431 17.9688 7.24956 numMergedOcc 0
14 mol 93 unq 2 iso 0 dist 9.10877 9.43355 10.8106 3.99275 11.2863 8.28591 numMergedOcc 0
15 mol 93 unq 3 iso 0 dist 9.10877 9.43355 10.8106 6.46195 14.6786 9.40687 numMergedOcc 0
16 mol 93 unq 4 iso 0 dist 9.10877 5.64141 7.14217 3.99275 11.2863 5.35008 numMergedOcc 0
17 mol 93 unq 5 iso 0 dist 9.10877 5.64141 7.14217 6.46195 14.6786 8.84576 numMergedOcc 0
18 mol 93 unq 6 iso 0 dist 9.10877 5.46186 12.9351 3.99275 11.2863 8.30921 numMergedOcc 0
19 mol 93 unq 7 iso 0 dist 9.10877 5.46186 12.9351 6.46195 14.6786 7.39732 numMergedOcc 0
20 mol 93 unq 8 iso 0 dist 9.10877 5.46186 12.9351 10.4525 19.377 9.67744 numMergedOcc 0
21 mol 95 unq 0 iso 0 dist 8.55238 9.83419 4.93864 11.9219 10.2966 9.50709 numMergedOcc 0
22 mol 98 unq 0 iso 0 dist 4.31067 7.63284 7.03983 12.7121 13.328 7.14813 numMergedOcc 0
23 mol 116 unq 0 iso 0 dist 7.55822 5.93365 3.87365 4.26914 8.51123 7.54274 numMergedOcc 0
24 mol 123 unq 0 iso 0 dist 9.99727 6.49766 4.1335 3.61945 8.111 4.14492 numMergedOcc 0
25 mol 147 unq 0 iso 0 dist 7.4653 8.10157 10.5361 3.75216 8.39897 5.12272 numMergedOcc 0
26 mol 147 unq 1 iso 0 dist 7.4653 8.10157 10.5361 6.64419 10.8483 8.7121 numMergedOcc 0
27 mol 147 unq 2 iso 0 dist 7.95564 8.10157 8.88819 3.75216 9.03078 5.12272 numMergedOcc 0
28 mol 147 unq 3 iso 0 dist 7.95564 8.10157 8.88819 6.64419 13.4973 8.7121 numMergedOcc 0
29 mol 186 unq 0 iso 0 dist 8.84116 9.22792 12.9384 10.2655 17.0071 6.94594 numMergedOcc 0
30 mol 186 unq 1 iso 0 dist 8.84116 9.22792 12.9384 11.6331 17.7668 5.81881 numMergedOcc 0
31 mol 186 unq 2 iso 0 dist 8.84116 5.00402 9.61375 8.73397 15.7284 9.4366 numMergedOcc 0
32 mol 186 unq 3 iso 0 dist 8.16369 9.22792 13.6489 10.2655 14.8749 6.94594 numMergedOcc 0
33 mol 186 unq 4 iso 0 dist 8.16369 9.22792 13.6489 11.6331 16.7387 5.81881 numMergedOcc 0
34 mol 186 unq 5 iso 0 dist 8.16369 5.00402 11.5563 8.73397 16.3651 9.4366 numMergedOcc 0
35 mol 243 unq 0 iso 0 dist 8.69557 8.8602 5.71505 12.159 14.521 9.53137 numMergedOcc 0
36 mol 243 unq 1 iso 0 dist 4.89168 9.49016 5.71505 18.1416 14.521 9.53137 numMergedOcc 0
37 mol 243 unq 2 iso 0 dist 9.39147 8.8602 11.8376 12.159 14.4361 9.53137 numMergedOcc 0
38 mol 292 unq 0 iso 0 dist 8.44108 9.18386 7.09754 9.45033 14.5312 9.56933 numMergedOcc 0
