0 mol 43 unq 0 iso 0 dist 8.84944 14.9082 8.03754 16.6791 8.75469 9.74445 17.3158 10.1053 9.83618 12.8035 numMergedOcc 0
1 mol 43 unq 1 iso 0 dist 7.21995 4.80528 8.03754 10.0917 8.75469 9.74445 13.4284 10.1053 9.83618 12.8035 numMergedOcc 0
2 mol 61 unq 0 iso 0 dist 8.8795 10.0338 8.44473 15.7081 12.9303 9.62468 16.8472 10.8911 8.76003 6.91052 numMergedOcc 0
3 mol 61 unq 1 iso 0 dist 8.8795 10.0338 8.44473 15.5937 13.2942 5.92705 16.8472 10.8911 8.76003 7.34319 numMergedOcc 0
4 mol 64 unq 0 iso 0 dist 8.52643 9.48441 9.64871 7.8986 7.05519 6.6003 13.1196 10.2974 9.80142 5.29079 numMergedOcc 0
5 mol 64 unq 1 iso 0 dist 8.52643 9.48441 9.64871 7.8986 7.05519 6.6003 11.4891 4.97497 9.54144 5.78769 numMergedOcc 0
6 mol 64 unq 2 iso 0 dist 5.41357 6.41829 9.64871 7.24183 7.05519 6.6003 11.9614 10.2974 9.80142 5.29079 numMergedOcc 0
7 mol 64 unq 3 iso 0 dist 5.41357 6.41829 9.64871 7.24183 7.05519 6.6003 8.64746 4.97497 9.54144 5.78769 numMergedOcc 0
8 mol 140 unq 0 iso 0 dist 8.94921 15.8205 9.11235 17.7981 10.5863 9.93572 12.9329 6.57826 7.27371 5.36419 numMergedOcc 0
9 mol 140 unq 1 iso 0 dist 7.77669 11.9489 9.11235 17.3778 10.5863 9.93572 13.5695 6.57826 7.27371 5.36419 numMergedOcc 0
10 mol 147 unq 0 iso 0 dist 5.32865 12.348 9.88662 13.0859 9.20914 9.18866 14.8347 10.9183 8.33261 12.8257 numMergedOcc 0
11 mol 152 unq 0 iso 0 dist 9.65031 14.069 8.41774 16.2429 7.53439 9.10619 19.2222 10.8622 9.13561 10.5988 numMergedOcc 0
12 mol 152 unq 1 iso 0 dist 8.51844 4.46956 8.41774 10.4601 7.53439 9.10619 13.2468 10.8622 9.13561 10.5988 numMergedOcc 0
13 mol 176 unq 0 iso 0 dist 7.98755 11.6341 8.02366 17.0688 13.0853 9.03194 19.325 16.4277 8.61331 9.17004 numMergedOcc 0
14 mol 220 unq 0 iso 0 dist 5.25149 6.19375 5.39218 7.57712 10.1832 7.31105 12.6808 9.46015 6.84247 12.3402 numMergedOcc 0
15 mol 220 unq 1 iso 0 dist 5.25149 6.19375 5.39218 7.57712 10.1832 7.31105 5.00266 4.51612 6.99002 7.84277 numMergedOcc 0
16 mol 224 unq 0 iso 0 dist 6.23677 6.87755 7.49783 11.9987 11.5364 6.56437 8.76325 4.76056 7.06793 11.7838 numMergedOcc 0
17 mol 224 unq 1 iso 0 dist 6.23677 6.87755 7.49783 11.9987 11.5364 6.56437 12.0468 10.7068 6.67585 10.4999 numMergedOcc 0
18 mol 224 unq 2 iso 0 dist 6.23677 6.87755 7.49783 7.58998 6.88745 6.23882 8.76325 4.76056 7.06793 9.57742 numMergedOcc 0
19 mol 224 unq 3 iso 0 dist 6.23677 6.87755 7.49783 7.58998 6.88745 6.23882 12.0468 10.7068 6.67585 12.0368 numMergedOcc 0
20 mol 224 unq 4 iso 0 dist 6.23677 6.87755 7.49783 15.2131 12.1666 9.53131 8.76325 4.76056 7.06793 8.30442 numMergedOcc 0
21 mol 224 unq 5 iso 0 dist 6.23677 6.87755 7.49783 15.2131 12.1666 9.53131 12.0468 10.7068 6.67585 4.63666 numMergedOcc 0
22 mol 224 unq 6 iso 0 dist 6.23677 6.87755 7.49783 12.0605 9.9943 9.34636 8.76325 4.76056 7.06793 5.46434 numMergedOcc 0
23 mol 224 unq 7 iso 0 dist 6.23677 6.87755 7.49783 12.0605 9.9943 9.34636 12.0468 10.7068 6.67585 5.03449 numMergedOcc 0
24 mol 224 unq 8 iso 0 dist 9.04741 12.3271 7.49783 16.9768 11.5364 6.56437 12.4794 4.76056 7.06793 11.7838 numMergedOcc 0
25 mol 224 unq 9 iso 0 dist 9.04741 12.3271 7.49783 16.9768 11.5364 6.56437 17.0348 10.7068 6.67585 10.4999 numMergedOcc 0
26 mol 224 unq 10 iso 0 dist 9.04741 12.3271 7.49783 11.537 6.88745 6.23882 12.4794 4.76056 7.06793 9.57742 numMergedOcc 0
27 mol 224 unq 11 iso 0 dist 9.04741 12.3271 7.49783 11.537 6.88745 6.23882 17.0348 10.7068 6.67585 12.0368 numMergedOcc 0
28 mol 224 unq 12 iso 0 dist 9.04741 12.3271 7.49783 20.0294 12.1666 9.53131 12.4794 4.76056 7.06793 8.30442 numMergedOcc 0
29 mol 224 unq 13 iso 0 dist 9.04741 12.3271 7.49783 20.0294 12.1666 9.53131 17.0348 10.7068 6.67585 4.63666 numMergedOcc 0
30 mol 224 unq 14 iso 0 dist 9.04741 12.3271 7.49783 15.9323 9.9943 9.34636 12.4794 4.76056 7.06793 5.46434 numMergedOcc 0
31 mol 224 unq 15 iso 0 dist 9.04741 12.3271 7.49783 15.9323 9.9943 9.34636 17.0348 10.7068 6.67585 5.03449 numMergedOcc 0
32 mol 224 unq 16 iso 0 dist 7.31608 11.0252 7.49783 16.8876 11.5364 6.56437 8.85101 4.76056 7.06793 11.7838 numMergedOcc 0
33 mol 224 unq 17 iso 0 dist 7.31608 11.0252 7.49783 16.8876 11.5364 6.56437 13.64 10.7068 6.67585 10.4999 numMergedOcc 0
34 mol 224 unq 18 iso 0 dist 7.31608 11.0252 7.49783 12.3857 6.88745 6.23882 8.85101 4.76056 7.06793 9.57742 numMergedOcc 0
35 mol 224 unq 19 iso 0 dist 7.31608 11.0252 7.49783 12.3857 6.88745 6.23882 13.64 10.7068 6.67585 12.0368 numMergedOcc 0
36 mol 224 unq 20 iso 0 dist 7.31608 11.0252 7.49783 16.7035 12.1666 9.53131 8.85101 4.76056 7.06793 8.30442 numMergedOcc 0
37 mol 224 unq 21 iso 0 dist 7.31608 11.0252 7.49783 16.7035 12.1666 9.53131 13.64 10.7068 6.67585 4.63666 numMergedOcc 0
38 mol 224 unq 22 iso 0 dist 7.31608 11.0252 7.49783 11.2964 9.9943 9.34636 8.85101 4.76056 7.06793 5.46434 numMergedOcc 0
39 mol 224 unq 23 iso 0 dist 7.31608 11.0252 7.49783 11.2964 9.9943 9.34636 13.64 10.7068 6.67585 5.03449 numMergedOcc 0
40 mol 259 unq 0 iso 0 dist 9.86267 7.02254 6.11671 12.1069 7.53628 5.90381 9.44826 3.83813 7.50578 10.8128 numMergedOcc 0
41 mol 277 unq 0 iso 0 dist 6.66936 7.44724 4.81916 6.23539 5.95045 6.90434 12.4404 6.20663 9.41725 9.14131 numMergedOcc 0
42 mol 277 unq 1 iso 0 dist 8.15119 5.77904 4.81916 12.4458 5.95045 6.90434 11.7564 6.20663 9.41725 9.14131 numMergedOcc 0
