0 mol 11 unq 0 iso 0 dist 9.18025 5.39703 5.25331 6.23163 6.83186 3.66215 numMergedOcc 0
1 mol 11 unq 1 iso 0 dist 9.10105 5.3871 4.79838 6.37744 6.83186 3.56133 numMergedOcc 0
2 mol 11 unq 2 iso 0 dist 9.08001 8.45603 4.79838 9.94056 6.83186 3.56133 numMergedOcc 0
3 mol 11 unq 3 iso 0 dist 9.13942 8.78859 5.25331 9.91307 6.83186 3.66215 numMergedOcc 0
4 mol 34 unq 0 iso 0 dist 8.05406 5.74612 9.56614 6.15892 4.75881 9.78639 numMergedOcc 0
5 mol 48 unq 0 iso 0 dist 7.11325 10.0513 7.16443 6.86738 8.22812 5.59994 numMergedOcc 0
6 mol 48 unq 1 iso 0 dist 7.11325 10.0513 7.16443 3.61974 4.22002 7.78417 numMergedOcc 0
7 mol 48 unq 2 iso 0 dist 7.11325 10.0513 7.16443 5.0726 5.77855 5.47187 numMergedOcc 0
8 mol 48 unq 3 iso 0 dist 7.11325 10.0513 7.16443 4.96046 8.10774 12.2824 numMergedOcc 0
9 mol 48 unq 4 iso 0 dist 7.11325 10.0513 7.16443 4.86063 6.5241 12.3016 numMergedOcc 0
10 mol 48 unq 5 iso 0 dist 6.86863 10.056 7.08628 5.12918 8.14245 12.2601 numMergedOcc 0
11 mol 48 unq 6 iso 0 dist 6.86863 10.056 7.08628 4.65863 6.36817 12.2529 numMergedOcc 0
12 mol 48 unq 7 iso 0 dist 6.86863 10.056 7.08628 6.69242 8.0812 5.98272 numMergedOcc 0
13 mol 48 unq 8 iso 0 dist 6.86863 10.056 7.08628 3.63032 4.17933 7.83821 numMergedOcc 0
14 mol 48 unq 9 iso 0 dist 6.86863 10.056 7.08628 4.90115 5.54893 5.51708 numMergedOcc 0
15 mol 85 unq 0 iso 0 dist 8.09327 12.9946 5.61151 5.94192 6.67137 10.803 numMergedOcc 0
16 mol 85 unq 1 iso 0 dist 8.09327 12.9946 5.61151 16.1956 9.78707 5.49707 numMergedOcc 0
17 mol 85 unq 2 iso 0 dist 6.7686 12.9946 6.54289 7.16843 7.07839 11.6623 numMergedOcc 0
18 mol 85 unq 3 iso 0 dist 6.7686 12.9946 6.54289 4.24179 9.09711 15.6048 numMergedOcc 0
19 mol 85 unq 4 iso 0 dist 6.7686 12.9946 6.54289 5.94192 7.04244 10.803 numMergedOcc 0
20 mol 85 unq 5 iso 0 dist 6.7686 12.9946 6.54289 6.78342 7.91193 13.4097 numMergedOcc 0
21 mol 85 unq 6 iso 0 dist 6.7686 12.9946 6.54289 16.1956 9.63449 5.49707 numMergedOcc 0
22 mol 85 unq 7 iso 0 dist 6.7686 9.55218 7.52869 7.16843 7.07839 4.86391 numMergedOcc 0
23 mol 85 unq 8 iso 0 dist 6.7686 9.55218 7.52869 4.24179 9.09711 11.6463 numMergedOcc 0
24 mol 85 unq 9 iso 0 dist 6.7686 9.55218 7.52869 5.94192 7.04244 9.46256 numMergedOcc 0
25 mol 85 unq 10 iso 0 dist 6.7686 9.55218 7.52869 16.1956 9.63449 11.3191 numMergedOcc 0
26 mol 85 unq 11 iso 0 dist 6.7686 9.55218 7.52869 6.78342 7.91193 8.06224 numMergedOcc 0
27 mol 85 unq 12 iso 0 dist 6.7686 9.57545 9.18945 7.16843 7.07839 9.18879 numMergedOcc 0
28 mol 85 unq 13 iso 0 dist 6.7686 9.57545 9.18945 4.24179 9.09711 13.1591 numMergedOcc 0
29 mol 85 unq 14 iso 0 dist 6.7686 9.57545 9.18945 5.94192 7.04244 6.34431 numMergedOcc 0
30 mol 85 unq 15 iso 0 dist 6.7686 9.57545 9.18945 16.1956 9.63449 14.7195 numMergedOcc 0
31 mol 85 unq 16 iso 0 dist 6.7686 9.57545 9.18945 6.78342 7.91193 11.8663 numMergedOcc 0
32 mol 123 unq 0 iso 0 dist 6.46129 7.22945 8.53618 4.08778 5.56127 4.43225 numMergedOcc 0
33 mol 123 unq 1 iso 0 dist 6.46129 7.22945 8.53618 7.41602 8.03692 14.0485 numMergedOcc 0
34 mol 123 unq 2 iso 0 dist 6.46129 7.22945 8.53618 10.3587 5.36214 8.58632 numMergedOcc 0
35 mol 123 unq 3 iso 0 dist 7.7316 11.6568 8.53618 8.97185 5.56127 4.43225 numMergedOcc 0
36 mol 123 unq 4 iso 0 dist 7.7316 11.6568 8.53618 4.74716 8.03692 14.0485 numMergedOcc 0
37 mol 123 unq 5 iso 0 dist 7.7316 11.6568 8.53618 11.5722 5.36214 8.58632 numMergedOcc 0
38 mol 213 unq 0 iso 0 dist 7.46064 13.3708 6.8984 3.83534 9.71831 14.229 numMergedOcc 0
39 mol 213 unq 1 iso 0 dist 7.46064 13.4229 7.77553 3.83534 9.71831 14.9475 numMergedOcc 0
40 mol 232 unq 0 iso 0 dist 9.35189 4.39953 8.49913 6.70004 9.64861 9.20175 numMergedOcc 0
41 mol 232 unq 1 iso 0 dist 9.06823 4.45663 8.49913 6.74053 9.64861 9.20175 numMergedOcc 0
42 mol 277 unq 0 iso 0 dist 6.02362 9.75728 9.62597 13.6397 7.98956 13.6468 numMergedOcc 0
43 mol 277 unq 1 iso 0 dist 6.02362 9.75728 9.62597 11.0951 5.86185 13.3297 numMergedOcc 0
44 mol 277 unq 2 iso 0 dist 6.02362 9.75728 9.62597 3.61982 6.79748 6.51854 numMergedOcc 0
45 mol 281 unq 0 iso 0 dist 6.16842 10.1407 9.94612 11.7281 7.90368 14.4804 numMergedOcc 0
46 mol 281 unq 1 iso 0 dist 6.16842 10.1407 9.94612 3.52633 6.69267 6.83942 numMergedOcc 0
47 mol 287 unq 0 iso 0 dist 6.00177 4.21227 7.1388 3.54301 6.24487 7.45064 numMergedOcc 0
48 mol 288 unq 0 iso 0 dist 6.00177 4.21227 7.1388 3.54301 6.24487 7.45064 numMergedOcc 0
49 mol 289 unq 0 iso 0 dist 6.00177 4.21227 7.1388 3.54301 6.24487 7.45064 numMergedOcc 0
