0 mol 11 unq 0 iso 0 dist 4.79838 7.5901 9.81983 3.56133 6.83186 6.51674 numMergedOcc 0
1 mol 34 unq 0 iso 0 dist 9.56614 5.48936 7.37118 9.78639 4.75881 8.00615 numMergedOcc 0
2 mol 34 unq 1 iso 0 dist 9.25424 6.45654 8.0991 11.418 6.38866 6.35031 numMergedOcc 0
3 mol 34 unq 2 iso 0 dist 9.25424 11.9626 8.80175 11.418 6.38866 5.50427 numMergedOcc 0
4 mol 34 unq 3 iso 0 dist 9.25424 14.7283 8.61637 11.418 6.38866 3.54863 numMergedOcc 0
5 mol 34 unq 4 iso 0 dist 7.69101 6.45654 9.95093 3.8237 9.48125 9.92713 numMergedOcc 0
6 mol 34 unq 5 iso 0 dist 9.57665 7.35043 9.95093 4.97937 9.48125 9.92713 numMergedOcc 0
7 mol 48 unq 0 iso 0 dist 7.02387 4.70231 5.7836 6.14049 5.54472 6.17529 numMergedOcc 0
8 mol 48 unq 1 iso 0 dist 7.02387 4.70231 5.7836 8.31625 8.62369 9.78584 numMergedOcc 0
9 mol 48 unq 2 iso 0 dist 7.02387 4.70231 5.7836 10.1271 6.5241 11.505 numMergedOcc 0
10 mol 48 unq 3 iso 0 dist 8.44353 12.8187 7.20729 5.67204 8.65524 10.8889 numMergedOcc 0
11 mol 48 unq 4 iso 0 dist 8.44353 12.8187 7.20729 4.28224 8.22812 13.697 numMergedOcc 0
12 mol 48 unq 5 iso 0 dist 4.74786 8.13678 5.7836 7.13338 5.54472 6.17529 numMergedOcc 0
13 mol 48 unq 6 iso 0 dist 4.74786 8.13678 5.7836 8.64653 8.62369 9.78584 numMergedOcc 0
14 mol 48 unq 7 iso 0 dist 4.74786 8.13678 5.7836 4.28224 6.5241 11.505 numMergedOcc 0
15 mol 48 unq 8 iso 0 dist 7.16443 12.9941 7.11491 5.59994 8.22812 11.6319 numMergedOcc 0
16 mol 48 unq 9 iso 0 dist 7.16443 12.9941 7.11491 7.78417 4.22002 5.39812 numMergedOcc 0
17 mol 48 unq 10 iso 0 dist 7.16443 12.9941 7.11491 5.47187 5.77855 8.55482 numMergedOcc 0
18 mol 48 unq 11 iso 0 dist 7.16443 12.9941 7.11491 12.2824 8.10774 3.59761 numMergedOcc 0
19 mol 48 unq 12 iso 0 dist 7.16443 12.9941 7.11491 12.3016 6.5241 3.50984 numMergedOcc 0
20 mol 48 unq 13 iso 0 dist 4.53565 8.24402 5.82264 7.08546 5.37439 6.30002 numMergedOcc 0
21 mol 48 unq 14 iso 0 dist 4.53565 8.24402 5.82264 8.61607 8.3714 9.72383 numMergedOcc 0
22 mol 48 unq 15 iso 0 dist 4.53565 8.24402 5.82264 4.12075 6.36817 11.5388 numMergedOcc 0
23 mol 48 unq 16 iso 0 dist 4.53565 4.40229 8.56365 7.08546 5.37439 11.2833 numMergedOcc 0
24 mol 48 unq 17 iso 0 dist 4.53565 4.40229 8.56365 8.61607 8.3714 12.3471 numMergedOcc 0
25 mol 48 unq 18 iso 0 dist 4.53565 4.40229 8.56365 4.12075 6.36817 6.34854 numMergedOcc 0
26 mol 48 unq 19 iso 0 dist 8.53722 12.7671 7.32996 4.12075 8.0812 13.357 numMergedOcc 0
27 mol 48 unq 20 iso 0 dist 8.53722 4.40229 7.47783 4.12075 8.0812 6.34854 numMergedOcc 0
28 mol 48 unq 21 iso 0 dist 6.15814 4.40229 8.74151 4.12075 4.17933 6.34854 numMergedOcc 0
29 mol 48 unq 22 iso 0 dist 7.70284 4.40229 8.69662 4.12075 5.54893 6.34854 numMergedOcc 0
30 mol 48 unq 23 iso 0 dist 7.08628 13.0328 7.1829 12.2601 8.14245 3.60121 numMergedOcc 0
31 mol 48 unq 24 iso 0 dist 7.08628 13.0328 7.1829 12.2529 6.36817 3.65036 numMergedOcc 0
32 mol 48 unq 25 iso 0 dist 7.08628 13.0328 7.1829 5.98272 8.0812 11.611 numMergedOcc 0
33 mol 48 unq 26 iso 0 dist 7.08628 13.0328 7.1829 7.83821 4.17933 5.37655 numMergedOcc 0
34 mol 48 unq 27 iso 0 dist 7.08628 13.0328 7.1829 5.51708 5.54893 8.48119 numMergedOcc 0
35 mol 79 unq 0 iso 0 dist 7.90338 5.97134 6.2576 4.35906 4.15789 4.37918 numMergedOcc 0
36 mol 79 unq 1 iso 0 dist 7.90338 9.00783 8.96069 4.35906 4.15789 9.08423 numMergedOcc 0
37 mol 79 unq 2 iso 0 dist 7.90338 4.52595 7.56495 4.35906 4.15789 6.29733 numMergedOcc 0
38 mol 79 unq 3 iso 0 dist 5.82384 8.45612 7.38548 4.39784 6.20144 5.79629 numMergedOcc 0
39 mol 79 unq 4 iso 0 dist 7.08462 4.94373 5.79139 4.89844 6.20144 4.31939 numMergedOcc 0
40 mol 79 unq 5 iso 0 dist 7.08462 4.94373 5.79139 4.35906 4.808 6.0298 numMergedOcc 0
41 mol 79 unq 6 iso 0 dist 7.08462 4.52595 7.63923 4.89844 6.20144 5.41884 numMergedOcc 0
42 mol 79 unq 7 iso 0 dist 7.08462 4.52595 7.63923 4.35906 4.808 6.29733 numMergedOcc 0
43 mol 79 unq 8 iso 0 dist 7.15907 4.58851 7.38548 5.01567 6.20144 5.79629 numMergedOcc 0
44 mol 85 unq 0 iso 0 dist 5.61151 5.75469 9.13593 10.803 6.67137 13.6534 numMergedOcc 0
45 mol 85 unq 1 iso 0 dist 5.61151 5.75469 9.13593 5.49707 9.78707 3.93938 numMergedOcc 0
46 mol 85 unq 2 iso 0 dist 6.54289 5.75469 8.25144 11.6623 7.07839 9.66391 numMergedOcc 0
47 mol 85 unq 3 iso 0 dist 6.54289 5.75469 8.25144 10.803 7.04244 13.6534 numMergedOcc 0
48 mol 85 unq 4 iso 0 dist 6.54289 5.75469 8.25144 15.6048 9.09711 15.6454 numMergedOcc 0
49 mol 85 unq 5 iso 0 dist 6.54289 5.75469 8.25144 5.49707 9.63449 3.93938 numMergedOcc 0
50 mol 85 unq 6 iso 0 dist 6.54289 5.75469 8.25144 13.4097 7.91193 11.6517 numMergedOcc 0
51 mol 85 unq 7 iso 0 dist 7.52869 7.66862 8.25144 4.86391 7.07839 9.66391 numMergedOcc 0
52 mol 85 unq 8 iso 0 dist 7.52869 7.66862 8.25144 9.46256 7.04244 13.6534 numMergedOcc 0
53 mol 85 unq 9 iso 0 dist 7.52869 7.66862 8.25144 11.3191 9.63449 3.93938 numMergedOcc 0
54 mol 85 unq 10 iso 0 dist 7.52869 7.66862 8.25144 8.06224 7.91193 11.6517 numMergedOcc 0
55 mol 85 unq 11 iso 0 dist 7.52869 7.66862 8.25144 11.6463 9.09711 15.6454 numMergedOcc 0
56 mol 85 unq 12 iso 0 dist 9.18945 11.7978 8.25144 9.18879 7.07839 9.66391 numMergedOcc 0
57 mol 85 unq 13 iso 0 dist 9.18945 11.7978 8.25144 6.34431 7.04244 13.6534 numMergedOcc 0
58 mol 85 unq 14 iso 0 dist 9.18945 11.7978 8.25144 14.7195 9.63449 3.93938 numMergedOcc 0
59 mol 85 unq 15 iso 0 dist 9.18945 11.7978 8.25144 11.8663 7.91193 11.6517 numMergedOcc 0
60 mol 85 unq 16 iso 0 dist 9.18945 11.7978 8.25144 13.1591 9.09711 15.6454 numMergedOcc 0
61 mol 101 unq 0 iso 0 dist 8.35515 7.83985 9.44645 11.7377 8.19144 13.0976 numMergedOcc 0
62 mol 123 unq 0 iso 0 dist 8.53618 12.1983 7.30244 4.43225 5.56127 7.88813 numMergedOcc 0
63 mol 123 unq 1 iso 0 dist 8.53618 12.1983 7.30244 14.0485 8.03692 4.10526 numMergedOcc 0
64 mol 123 unq 2 iso 0 dist 8.53618 12.1983 7.30244 8.58632 5.36214 12.6384 numMergedOcc 0
65 mol 141 unq 0 iso 0 dist 6.50336 7.64948 9.59109 9.08526 4.88514 13.8739 numMergedOcc 0
66 mol 193 unq 0 iso 0 dist 6.17074 8.68853 9.9042 6.11405 8.30069 11.1328 numMergedOcc 0
67 mol 193 unq 1 iso 0 dist 6.17074 8.68853 9.9042 3.90046 8.83551 11.6691 numMergedOcc 0
68 mol 193 unq 2 iso 0 dist 6.17074 5.97706 6.21262 6.11405 8.30069 11.4882 numMergedOcc 0
69 mol 193 unq 3 iso 0 dist 6.17074 5.97706 6.21262 3.90046 8.83551 9.7301 numMergedOcc 0
70 mol 213 unq 0 iso 0 dist 6.8984 10.5013 8.59946 14.229 9.71831 6.78109 numMergedOcc 0
71 mol 213 unq 1 iso 0 dist 7.77553 9.93085 8.59946 14.9475 9.71831 6.78109 numMergedOcc 0
72 mol 214 unq 0 iso 0 dist 7.72298 10.8576 8.41013 6.05252 7.96338 6.28944 numMergedOcc 0
73 mol 214 unq 1 iso 0 dist 7.72298 10.8576 8.41013 4.00138 7.42759 7.23583 numMergedOcc 0
74 mol 254 unq 0 iso 0 dist 6.12653 6.6011 9.50951 6.19835 9.20109 11.9238 numMergedOcc 0
75 mol 254 unq 1 iso 0 dist 6.59989 8.57314 9.31434 4.84855 7.85841 11.0708 numMergedOcc 0
76 mol 254 unq 2 iso 0 dist 6.59989 8.57314 9.31434 5.67608 9.20109 13.4911 numMergedOcc 0
77 mol 260 unq 0 iso 0 dist 5.30187 4.73121 4.52405 5.91135 6.48099 3.60349 numMergedOcc 0
78 mol 281 unq 0 iso 0 dist 9.94612 14.9634 6.18742 14.4804 7.90368 3.78169 numMergedOcc 0
79 mol 281 unq 1 iso 0 dist 9.94612 14.9634 6.18742 6.83942 6.69267 11.7772 numMergedOcc 0
80 mol 285 unq 0 iso 0 dist 6.01404 4.39689 8.79261 6.01515 5.88958 8.78384 numMergedOcc 0
81 mol 287 unq 0 iso 0 dist 5.50067 5.13166 8.58427 8.99193 4.68668 9.88575 numMergedOcc 0
82 mol 288 unq 0 iso 0 dist 5.50067 5.13166 8.58427 8.99193 4.68668 9.88575 numMergedOcc 0
83 mol 289 unq 0 iso 0 dist 5.50067 5.13166 8.58427 8.99193 4.68668 9.88575 numMergedOcc 0
84 mol 292 unq 0 iso 0 dist 9.10627 9.06235 5.91617 11.2463 8.07775 5.06937 numMergedOcc 0
