0 mol 2 unq 0 iso 0 dist 9.9335 7.99162 11.2776 10.8368 6.15195 15.0494 numMergedOcc 0
1 mol 2 unq 1 iso 0 dist 9.9335 7.99162 11.2776 6.38677 7.37296 9.58976 numMergedOcc 0
2 mol 4 unq 0 iso 0 dist 6.22303 9.31285 6.39302 6.80703 9.84876 10.4062 numMergedOcc 0
3 mol 4 unq 1 iso 0 dist 6.22303 9.31285 6.39302 5.13908 8.7041 10.7016 numMergedOcc 0
4 mol 4 unq 2 iso 0 dist 6.22303 8.66947 6.8787 6.80703 9.84876 9.71908 numMergedOcc 0
5 mol 4 unq 3 iso 0 dist 6.22303 8.66947 6.8787 5.13908 8.7041 13.0418 numMergedOcc 0
6 mol 7 unq 0 iso 0 dist 9.8592 8.48743 10.2888 7.91041 9.67498 13.4907 numMergedOcc 0
7 mol 14 unq 0 iso 0 dist 6.3453 8.64855 11.0036 5.64699 8.19687 14.2327 numMergedOcc 0
8 mol 14 unq 1 iso 0 dist 6.3453 8.64855 11.0036 7.37113 5.71901 14.5684 numMergedOcc 0
9 mol 16 unq 0 iso 0 dist 8.62634 6.68517 6.05535 4.94804 9.31149 10.2723 numMergedOcc 0
10 mol 55 unq 0 iso 0 dist 5.29239 9.91591 4.93453 6.19827 7.58788 10.1839 numMergedOcc 0
11 mol 61 unq 0 iso 0 dist 7.96502 5.50504 6.32949 5.25196 8.30431 9.62468 numMergedOcc 0
12 mol 61 unq 1 iso 0 dist 7.96502 5.50504 6.32949 6.97911 4.628 5.92705 numMergedOcc 0
13 mol 64 unq 0 iso 0 dist 8.71324 9.56181 9.73304 13.6999 9.3473 16.6744 numMergedOcc 0
14 mol 64 unq 1 iso 0 dist 9.5663 9.56181 5.59762 12.6498 6.08228 11.6303 numMergedOcc 0
15 mol 69 unq 0 iso 0 dist 9.16791 8.29727 8.77472 15.4318 7.09393 15.2649 numMergedOcc 0
16 mol 69 unq 1 iso 0 dist 9.16791 8.29727 8.77472 11.6163 3.87167 12.3291 numMergedOcc 0
17 mol 69 unq 2 iso 0 dist 6.57452 8.29727 5.16822 11.6815 9.22636 13.9229 numMergedOcc 0
18 mol 86 unq 0 iso 0 dist 8.45341 5.63037 9.69527 5.16705 9.62655 10.7627 numMergedOcc 0
19 mol 92 unq 0 iso 0 dist 8.98532 8.3558 5.1767 12.3568 9.56884 12.9107 numMergedOcc 0
20 mol 92 unq 1 iso 0 dist 8.98532 8.3558 5.1767 5.38868 8.67865 4.98104 numMergedOcc 0
21 mol 92 unq 2 iso 0 dist 8.98532 8.3558 5.1767 5.80362 8.40148 10.7379 numMergedOcc 0
22 mol 102 unq 0 iso 0 dist 6.7095 8.84131 7.49575 13.457 8.63522 12.8661 numMergedOcc 0
23 mol 102 unq 1 iso 0 dist 6.7095 8.84131 7.49575 10.8385 5.43401 9.10229 numMergedOcc 0
24 mol 114 unq 0 iso 0 dist 6.15949 6.99793 7.65733 5.67441 5.31281 7.25166 numMergedOcc 0
25 mol 114 unq 1 iso 0 dist 6.15949 6.99793 7.65733 10.0602 8.9922 12.8848 numMergedOcc 0
26 mol 114 unq 2 iso 0 dist 6.15949 6.71345 5.24877 5.67441 5.31281 8.42445 numMergedOcc 0
27 mol 114 unq 3 iso 0 dist 6.15949 6.71345 5.24877 10.0602 8.9922 10.2889 numMergedOcc 0
28 mol 148 unq 0 iso 0 dist 6.4413 7.95671 5.34721 13.2694 9.71692 14.0476 numMergedOcc 0
29 mol 150 unq 0 iso 0 dist 6.62609 8.12659 5.38822 13.3379 9.73708 14.1199 numMergedOcc 0
30 mol 178 unq 0 iso 0 dist 9.3355 8.04723 13.6129 5.50567 6.25455 12.1615 numMergedOcc 0
31 mol 178 unq 1 iso 0 dist 9.3355 8.04723 13.6129 6.1397 8.14441 8.0974 numMergedOcc 0
32 mol 181 unq 0 iso 0 dist 9.614 8.27794 11.0057 9.24302 8.78709 15.0674 numMergedOcc 0
33 mol 207 unq 0 iso 0 dist 4.70143 5.18312 7.53149 9.07366 8.84785 13.6848 numMergedOcc 0
34 mol 227 unq 0 iso 0 dist 8.25412 9.66521 5.14019 5.34424 5.2851 9.18675 numMergedOcc 0
35 mol 236 unq 0 iso 0 dist 5.46484 8.95071 6.49831 8.95567 7.6402 13.61 numMergedOcc 0
36 mol 236 unq 1 iso 0 dist 8.80671 7.49412 6.81625 5.98568 7.6402 10.818 numMergedOcc 0
37 mol 241 unq 0 iso 0 dist 7.16232 6.90245 7.93809 10.121 9.174 9.72526 numMergedOcc 0
38 mol 261 unq 0 iso 0 dist 9.66298 9.80409 13.6041 17.0555 9.70222 17.2791 numMergedOcc 0
39 mol 278 unq 0 iso 0 dist 6.03414 9.91518 8.66976 5.49004 8.87405 9.82774 numMergedOcc 0
40 mol 280 unq 0 iso 0 dist 8.64546 6.94723 6.0971 12.2581 8.57733 13.96 numMergedOcc 0
41 mol 280 unq 1 iso 0 dist 8.64546 6.94723 6.0971 16.0615 9.05509 15.1175 numMergedOcc 0
42 mol 280 unq 2 iso 0 dist 3.97964 6.52188 6.0971 8.4621 8.57733 13.96 numMergedOcc 0
43 mol 280 unq 3 iso 0 dist 3.97964 6.52188 6.0971 10.5502 9.05509 15.1175 numMergedOcc 0
44 mol 280 unq 4 iso 0 dist 4.55639 6.94723 6.96139 7.07259 6.83927 12.8659 numMergedOcc 0
45 mol 280 unq 5 iso 0 dist 7.72152 6.52188 6.96139 10.1323 6.83927 12.8659 numMergedOcc 0
46 mol 285 unq 0 iso 0 dist 8.17214 8.33653 5.93692 14.6688 8.63954 13.8061 numMergedOcc 0
47 mol 285 unq 1 iso 0 dist 8.17214 8.33653 5.93692 8.64319 4.74716 8.71213 numMergedOcc 0
