0 mol 11 unq 0 iso 0 dist 9.10105 5.27651 9.81983 6.37744 6.83186 6.51674 numMergedOcc 0
1 mol 11 unq 1 iso 0 dist 9.08001 6.28147 9.81983 9.94056 6.83186 6.51674 numMergedOcc 0
2 mol 28 unq 0 iso 0 dist 7.41497 11.247 8.69709 3.55555 7.08766 10.8722 numMergedOcc 0
3 mol 34 unq 0 iso 0 dist 8.05406 4.15396 7.37118 6.15892 4.75881 8.00615 numMergedOcc 0
4 mol 48 unq 0 iso 0 dist 7.91373 7.37743 6.28603 4.08527 5.54472 3.50984 numMergedOcc 0
5 mol 48 unq 1 iso 0 dist 7.11325 5.53262 7.11491 6.86738 8.22812 11.6319 numMergedOcc 0
6 mol 48 unq 2 iso 0 dist 7.11325 5.53262 7.11491 3.61974 4.22002 5.39812 numMergedOcc 0
7 mol 48 unq 3 iso 0 dist 7.11325 5.53262 7.11491 5.0726 5.77855 8.55482 numMergedOcc 0
8 mol 48 unq 4 iso 0 dist 7.11325 5.53262 7.11491 4.96046 8.10774 3.59761 numMergedOcc 0
9 mol 48 unq 5 iso 0 dist 7.11325 5.53262 7.11491 4.86063 6.5241 3.50984 numMergedOcc 0
10 mol 48 unq 6 iso 0 dist 7.95438 7.43936 5.73454 4.05688 5.37439 3.65036 numMergedOcc 0
11 mol 48 unq 7 iso 0 dist 6.86863 5.55385 7.1829 5.12918 8.14245 3.60121 numMergedOcc 0
12 mol 48 unq 8 iso 0 dist 6.86863 5.55385 7.1829 4.65863 6.36817 3.65036 numMergedOcc 0
13 mol 48 unq 9 iso 0 dist 6.86863 5.55385 7.1829 6.69242 8.0812 11.611 numMergedOcc 0
14 mol 48 unq 10 iso 0 dist 6.86863 5.55385 7.1829 3.63032 4.17933 5.37655 numMergedOcc 0
15 mol 48 unq 11 iso 0 dist 6.86863 5.55385 7.1829 4.90115 5.54893 8.48119 numMergedOcc 0
16 mol 85 unq 0 iso 0 dist 8.09327 14.0774 9.13593 5.94192 6.67137 13.6534 numMergedOcc 0
17 mol 85 unq 1 iso 0 dist 8.09327 14.0774 9.13593 16.1956 9.78707 3.93938 numMergedOcc 0
18 mol 85 unq 2 iso 0 dist 6.7686 14.0774 8.25144 7.16843 7.07839 9.66391 numMergedOcc 0
19 mol 85 unq 3 iso 0 dist 6.7686 14.0774 8.25144 4.24179 9.09711 15.6454 numMergedOcc 0
20 mol 85 unq 4 iso 0 dist 6.7686 14.0774 8.25144 5.94192 7.04244 13.6534 numMergedOcc 0
21 mol 85 unq 5 iso 0 dist 6.7686 14.0774 8.25144 16.1956 9.63449 3.93938 numMergedOcc 0
22 mol 85 unq 6 iso 0 dist 6.7686 14.0774 8.25144 6.78342 7.91193 11.6517 numMergedOcc 0
23 mol 98 unq 0 iso 0 dist 8.85795 13.5064 9.90672 5.22889 6.5816 9.43399 numMergedOcc 0
24 mol 98 unq 1 iso 0 dist 8.85795 3.96595 7.55367 5.22889 6.5816 3.61204 numMergedOcc 0
25 mol 109 unq 0 iso 0 dist 5.43504 4.16552 5.54226 5.09097 9.51764 5.5693 numMergedOcc 0
26 mol 109 unq 1 iso 0 dist 5.43504 4.16552 5.54226 7.10544 9.29327 11.1265 numMergedOcc 0
27 mol 117 unq 0 iso 0 dist 5.52204 6.76811 9.82836 7.49865 9.02015 13.6461 numMergedOcc 0
28 mol 117 unq 1 iso 0 dist 5.52204 4.21545 6.5788 7.49865 9.02015 6.05048 numMergedOcc 0
29 mol 117 unq 2 iso 0 dist 5.52204 6.72229 6.2771 7.49865 9.02015 4.42665 numMergedOcc 0
30 mol 123 unq 0 iso 0 dist 6.46129 5.94062 7.30244 4.08778 5.56127 7.88813 numMergedOcc 0
31 mol 123 unq 1 iso 0 dist 6.46129 5.94062 7.30244 7.41602 8.03692 4.10526 numMergedOcc 0
32 mol 123 unq 2 iso 0 dist 6.46129 5.94062 7.30244 10.3587 5.36214 12.6384 numMergedOcc 0
33 mol 123 unq 3 iso 0 dist 7.7316 6.86493 7.30244 8.97185 5.56127 7.88813 numMergedOcc 0
34 mol 123 unq 4 iso 0 dist 7.7316 6.86493 7.30244 4.74716 8.03692 4.10526 numMergedOcc 0
35 mol 123 unq 5 iso 0 dist 7.7316 6.86493 7.30244 11.5722 5.36214 12.6384 numMergedOcc 0
36 mol 169 unq 0 iso 0 dist 7.09378 11.8219 9.84538 5.79743 5.10589 14.1141 numMergedOcc 0
37 mol 169 unq 1 iso 0 dist 7.09378 11.8219 9.84538 7.98467 4.63336 13.1539 numMergedOcc 0
38 mol 169 unq 2 iso 0 dist 7.09378 11.8219 9.84538 7.33201 6.10715 11.6489 numMergedOcc 0
39 mol 169 unq 3 iso 0 dist 7.57745 17.287 9.84538 3.96954 5.10589 14.1141 numMergedOcc 0
40 mol 169 unq 4 iso 0 dist 7.57745 17.287 9.84538 5.64761 4.63336 13.1539 numMergedOcc 0
41 mol 169 unq 5 iso 0 dist 7.57745 17.287 9.84538 8.90181 6.10715 11.6489 numMergedOcc 0
42 mol 213 unq 0 iso 0 dist 7.46064 7.66404 8.59946 3.83534 9.71831 6.78109 numMergedOcc 0
43 mol 281 unq 0 iso 0 dist 6.16842 10.0155 6.18742 11.7281 7.90368 3.78169 numMergedOcc 0
44 mol 281 unq 1 iso 0 dist 6.16842 10.0155 6.18742 3.52633 6.69267 11.7772 numMergedOcc 0
45 mol 281 unq 2 iso 0 dist 4.16004 10.0155 6.8089 7.32876 5.33372 10.3992 numMergedOcc 0
46 mol 281 unq 3 iso 0 dist 4.16004 10.0155 6.8089 3.52633 6.56886 11.7772 numMergedOcc 0
