0 mol 2 unq 0 iso 0 dist 5.69072 7.60935 6.93149 11.4347 9.39095 16.1725 numMergedOcc 0
1 mol 15 unq 0 iso 0 dist 8.0637 7.57076 8.00576 7.38118 5.70754 9.93049 numMergedOcc 0
2 mol 18 unq 0 iso 0 dist 4.70023 9.04157 10.7484 5.70763 8.02671 9.60958 numMergedOcc 0
3 mol 18 unq 1 iso 0 dist 4.70023 9.04157 10.7484 5.79003 6.09533 10.5736 numMergedOcc 0
4 mol 28 unq 0 iso 0 dist 6.53312 5.98169 10.6136 6.95803 8.76224 12.2603 numMergedOcc 0
5 mol 28 unq 1 iso 0 dist 5.9948 6.76158 11.7233 4.3475 8.76224 8.53424 numMergedOcc 0
6 mol 28 unq 2 iso 0 dist 5.9948 7.423 13.0183 4.3475 8.76224 7.08766 numMergedOcc 0
7 mol 28 unq 3 iso 0 dist 5.9948 5.89257 10.9699 4.3475 8.76224 4.82199 numMergedOcc 0
8 mol 62 unq 0 iso 0 dist 6.49446 6.0827 6.13411 10.9175 8.7531 14.2729 numMergedOcc 0
9 mol 62 unq 1 iso 0 dist 6.49446 6.0827 6.13411 5.4275 7.25138 4.46067 numMergedOcc 0
10 mol 76 unq 0 iso 0 dist 9.0101 8.26805 9.68005 6.27527 6.46582 7.66068 numMergedOcc 0
11 mol 76 unq 1 iso 0 dist 9.0101 9.68577 14.6547 6.27527 6.46582 9.5043 numMergedOcc 0
12 mol 79 unq 0 iso 0 dist 7.18358 6.29801 5.73969 8.10649 9.853 12.9035 numMergedOcc 0
13 mol 88 unq 0 iso 0 dist 9.79535 9.57352 14.0189 13.8801 8.56269 21.1624 numMergedOcc 0
14 mol 88 unq 1 iso 0 dist 9.79535 9.57352 14.0189 7.19267 9.40699 14.0875 numMergedOcc 0
15 mol 98 unq 0 iso 0 dist 6.31509 5.91023 4.48773 5.90092 9.68556 6.5816 numMergedOcc 0
16 mol 98 unq 1 iso 0 dist 8.49806 5.91023 3.78499 5.90092 8.73928 6.5816 numMergedOcc 0
17 mol 103 unq 0 iso 0 dist 8.8763 7.91691 13.4361 7.6171 5.53454 12.0557 numMergedOcc 0
18 mol 113 unq 0 iso 0 dist 6.28645 9.00481 7.1034 6.39939 7.08403 9.75234 numMergedOcc 0
19 mol 120 unq 0 iso 0 dist 9.35529 8.31527 8.9188 5.37018 9.58434 11.8836 numMergedOcc 0
20 mol 120 unq 1 iso 0 dist 9.35529 8.31527 8.9188 5.79975 9.16089 7.84207 numMergedOcc 0
21 mol 120 unq 2 iso 0 dist 9.35529 7.64841 3.71884 5.37018 9.58434 9.31385 numMergedOcc 0
22 mol 120 unq 3 iso 0 dist 9.35529 7.64841 3.71884 5.79975 9.16089 6.98791 numMergedOcc 0
23 mol 168 unq 0 iso 0 dist 8.80094 8.47439 15.207 3.6038 8.47543 10.3204 numMergedOcc 0
24 mol 169 unq 0 iso 0 dist 6.57161 9.3206 7.16323 6.55092 7.33643 10.1862 numMergedOcc 0
25 mol 171 unq 0 iso 0 dist 7.7195 6.80203 11.244 4.71092 7.06555 10.6564 numMergedOcc 0
26 mol 171 unq 1 iso 0 dist 8.30819 8.00826 11.244 10.7165 7.06555 10.6564 numMergedOcc 0
27 mol 176 unq 0 iso 0 dist 6.55106 6.32254 3.58164 7.69131 8.51811 9.09371 numMergedOcc 0
28 mol 176 unq 1 iso 0 dist 6.55106 6.32254 3.58164 5.25264 7.26558 6.85902 numMergedOcc 0
29 mol 176 unq 2 iso 0 dist 8.08891 8.89556 3.58164 4.53563 8.51811 9.09371 numMergedOcc 0
30 mol 176 unq 3 iso 0 dist 8.08891 8.89556 3.58164 3.97245 7.26558 6.85902 numMergedOcc 0
31 mol 185 unq 0 iso 0 dist 9.27825 9.62449 5.80135 10.2953 9.1549 12.1031 numMergedOcc 0
32 mol 186 unq 0 iso 0 dist 9.75853 7.82717 3.42324 4.32488 7.69952 4.87942 numMergedOcc 0
33 mol 186 unq 1 iso 0 dist 9.75853 8.19926 8.26669 4.32488 7.69952 7.25595 numMergedOcc 0
34 mol 186 unq 2 iso 0 dist 9.75853 9.02402 14.845 4.32488 7.69952 12.8994 numMergedOcc 0
35 mol 243 unq 0 iso 0 dist 9.6748 8.35328 3.79865 6.56644 6.46793 4.55853 numMergedOcc 0
36 mol 260 unq 0 iso 0 dist 4.76689 7.22473 3.48905 5.30931 7.88108 9.66527 numMergedOcc 0
37 mol 260 unq 1 iso 0 dist 4.76689 7.22473 3.48905 7.91474 9.46576 8.62655 numMergedOcc 0
38 mol 260 unq 2 iso 0 dist 4.76689 6.02628 3.43711 5.30931 7.88108 7.04263 numMergedOcc 0
39 mol 260 unq 3 iso 0 dist 4.76689 6.02628 3.43711 7.91474 9.46576 11.9844 numMergedOcc 0
40 mol 260 unq 4 iso 0 dist 8.79012 7.13397 3.48905 8.90225 7.88108 9.66527 numMergedOcc 0
41 mol 260 unq 5 iso 0 dist 8.79012 7.13397 3.48905 4.38276 9.46576 8.62655 numMergedOcc 0
42 mol 260 unq 6 iso 0 dist 8.79012 5.33278 8.84611 8.90225 7.88108 6.48099 numMergedOcc 0
43 mol 260 unq 7 iso 0 dist 8.79012 5.33278 8.84611 4.38276 9.46576 9.01781 numMergedOcc 0
44 mol 266 unq 0 iso 0 dist 9.477 6.9943 3.87565 4.58167 7.93375 6.96692 numMergedOcc 0
45 mol 266 unq 1 iso 0 dist 9.477 7.36685 9.25882 4.58167 7.93375 8.25286 numMergedOcc 0
46 mol 266 unq 2 iso 0 dist 9.477 9.03099 12.1357 4.58167 7.93375 9.9965 numMergedOcc 0
