0 mol 7 unq 0 iso 0 dist 6.22892 7.15287 8.41585 5.13744 6.36911 6.06176 numMergedOcc 0
1 mol 9 unq 0 iso 0 dist 9.47321 5.91584 8.57077 8.48796 8.47421 5.60154 numMergedOcc 0
2 mol 16 unq 0 iso 0 dist 8.17898 5.72175 5.05803 12.0005 7.03948 6.2983 numMergedOcc 0
3 mol 19 unq 0 iso 0 dist 7.84393 9.01721 7.82074 6.31174 8.73972 6.55187 numMergedOcc 0
4 mol 24 unq 0 iso 0 dist 6.85331 9.20254 6.86014 8.91397 9.75144 5.39241 numMergedOcc 0
5 mol 64 unq 0 iso 0 dist 9.10915 9.73304 9.67592 12.9814 8.68586 5.3948 numMergedOcc 0
6 mol 64 unq 1 iso 0 dist 8.66921 10.8918 9.67592 11.75 8.68586 5.3948 numMergedOcc 0
7 mol 64 unq 2 iso 0 dist 5.54343 5.59762 9.67592 5.68492 8.68586 5.3948 numMergedOcc 0
8 mol 73 unq 0 iso 0 dist 4.24428 6.58444 5.93252 5.14919 5.64598 9.77992 numMergedOcc 0
9 mol 73 unq 1 iso 0 dist 6.30194 10.5627 6.19304 5.14919 4.65521 7.41074 numMergedOcc 0
10 mol 73 unq 2 iso 0 dist 5.79954 14.1415 9.38498 13.1044 8.70133 13.4082 numMergedOcc 0
11 mol 73 unq 3 iso 0 dist 5.79954 12.8388 9.96396 13.1044 8.70133 7.41074 numMergedOcc 0
12 mol 73 unq 4 iso 0 dist 5.79954 9.65653 9.75218 13.1044 8.70133 15.9882 numMergedOcc 0
13 mol 73 unq 5 iso 0 dist 7.01889 7.9573 9.38498 15.124 8.70133 13.4082 numMergedOcc 0
14 mol 73 unq 6 iso 0 dist 7.01889 15.0744 9.96396 15.124 8.70133 7.41074 numMergedOcc 0
15 mol 73 unq 7 iso 0 dist 7.01889 8.11922 9.75218 15.124 8.70133 15.9882 numMergedOcc 0
16 mol 76 unq 0 iso 0 dist 4.83274 10.2219 6.97941 13.8036 9.49449 6.06861 numMergedOcc 0
17 mol 76 unq 1 iso 0 dist 7.89214 7.74851 6.97941 6.63393 9.49449 6.06861 numMergedOcc 0
18 mol 85 unq 0 iso 0 dist 9.22376 5.75796 7.47541 13.0379 7.22293 7.98917 numMergedOcc 0
19 mol 85 unq 1 iso 0 dist 9.22376 3.85308 7.66905 13.0379 7.22293 11.6116 numMergedOcc 0
20 mol 85 unq 2 iso 0 dist 9.22376 9.77828 5.73196 13.0379 7.22293 6.47779 numMergedOcc 0
21 mol 88 unq 0 iso 0 dist 7.76275 13.1838 9.36773 8.71166 9.2603 6.95868 numMergedOcc 0
22 mol 88 unq 1 iso 0 dist 7.76275 12.6939 8.31336 8.71166 9.2603 6.97239 numMergedOcc 0
23 mol 115 unq 0 iso 0 dist 9.56867 9.97256 6.11741 7.97477 6.99777 10.8292 numMergedOcc 0
24 mol 115 unq 1 iso 0 dist 9.56867 9.97256 6.11741 6.58038 9.14376 6.12943 numMergedOcc 0
25 mol 115 unq 2 iso 0 dist 9.56867 7.64822 7.88312 7.97477 6.99777 11.7126 numMergedOcc 0
26 mol 115 unq 3 iso 0 dist 9.56867 7.64822 7.88312 6.58038 9.14376 4.62962 numMergedOcc 0
27 mol 119 unq 0 iso 0 dist 6.85677 4.99061 6.18601 9.87733 9.80862 9.35964 numMergedOcc 0
28 mol 119 unq 1 iso 0 dist 6.85677 4.99061 6.18601 11.7378 8.43904 10.3457 numMergedOcc 0
29 mol 127 unq 0 iso 0 dist 7.73139 11.0785 9.30299 11.54 9.81878 4.77464 numMergedOcc 0
30 mol 127 unq 1 iso 0 dist 6.66607 8.89539 9.30299 6.09683 9.81878 4.77464 numMergedOcc 0
31 mol 127 unq 2 iso 0 dist 8.62711 10.345 9.30299 13.376 9.81878 4.77464 numMergedOcc 0
32 mol 130 unq 0 iso 0 dist 9.05626 7.09664 8.70949 5.53247 6.89257 8.84655 numMergedOcc 0
33 mol 130 unq 1 iso 0 dist 9.05626 7.09664 8.70949 8.63186 8.74308 6.76754 numMergedOcc 0
34 mol 132 unq 0 iso 0 dist 6.2403 6.04014 7.7059 6.58856 6.03703 9.92344 numMergedOcc 0
35 mol 132 unq 1 iso 0 dist 6.495 10.0823 7.7059 10.343 6.03703 9.92344 numMergedOcc 0
36 mol 134 unq 0 iso 0 dist 5.67862 9.52819 6.37586 6.30187 5.42582 5.41704 numMergedOcc 0
37 mol 134 unq 1 iso 0 dist 5.67862 12.4156 9.71307 6.30187 5.42582 6.17103 numMergedOcc 0
38 mol 134 unq 2 iso 0 dist 7.97208 12.5576 6.54501 6.30187 8.6355 10.1448 numMergedOcc 0
39 mol 134 unq 3 iso 0 dist 7.97208 9.52819 6.49416 6.30187 8.6355 5.41704 numMergedOcc 0
40 mol 155 unq 0 iso 0 dist 7.28355 4.8645 6.23493 10.0058 7.16254 6.3845 numMergedOcc 0
41 mol 155 unq 1 iso 0 dist 7.28355 4.8645 6.23493 10.5375 9.86313 5.86939 numMergedOcc 0
42 mol 175 unq 0 iso 0 dist 6.73365 5.73338 5.6234 7.92448 9.0664 5.28109 numMergedOcc 0
43 mol 175 unq 1 iso 0 dist 6.73365 12.753 9.92231 7.92448 9.0664 7.14477 numMergedOcc 0
44 mol 175 unq 2 iso 0 dist 6.6776 13.7028 9.0018 10.2578 9.8589 8.22779 numMergedOcc 0
45 mol 175 unq 3 iso 0 dist 6.6776 10.4662 5.6234 10.2578 9.8589 10.5631 numMergedOcc 0
46 mol 175 unq 4 iso 0 dist 6.6776 7.42609 6.57069 10.2578 9.8589 7.5414 numMergedOcc 0
47 mol 181 unq 0 iso 0 dist 9.63295 12.5935 7.63312 10.602 6.93764 4.80231 numMergedOcc 0
48 mol 204 unq 0 iso 0 dist 7.7292 13.4646 7.10633 11.695 5.90931 5.09262 numMergedOcc 0
49 mol 204 unq 1 iso 0 dist 7.7292 9.54287 8.51516 11.695 5.90931 12.9483 numMergedOcc 0
50 mol 214 unq 0 iso 0 dist 9.40003 16.5528 9.65138 13.377 6.97182 6.16485 numMergedOcc 0
51 mol 214 unq 1 iso 0 dist 9.40003 16.5528 9.65138 9.36638 6.1175 11.5712 numMergedOcc 0
52 mol 214 unq 2 iso 0 dist 9.40003 9.11345 7.14453 13.377 6.97182 5.33565 numMergedOcc 0
53 mol 214 unq 3 iso 0 dist 9.40003 9.11345 7.14453 9.36638 6.1175 5.06792 numMergedOcc 0
54 mol 214 unq 4 iso 0 dist 9.40003 16.922 8.85478 13.377 6.97182 8.47007 numMergedOcc 0
55 mol 214 unq 5 iso 0 dist 9.40003 16.922 8.85478 9.36638 6.1175 12.8334 numMergedOcc 0
56 mol 214 unq 6 iso 0 dist 8.68385 10.2443 9.65138 8.07861 6.97182 6.16485 numMergedOcc 0
57 mol 214 unq 7 iso 0 dist 8.68385 10.2443 9.65138 10.2576 6.1175 11.5712 numMergedOcc 0
58 mol 214 unq 8 iso 0 dist 8.68385 12.5421 7.14453 8.07861 6.97182 5.33565 numMergedOcc 0
59 mol 214 unq 9 iso 0 dist 8.68385 12.5421 7.14453 10.2576 6.1175 5.06792 numMergedOcc 0
60 mol 214 unq 10 iso 0 dist 8.68385 9.18071 8.85478 8.07861 6.97182 8.47007 numMergedOcc 0
61 mol 214 unq 11 iso 0 dist 8.68385 9.18071 8.85478 10.2576 6.1175 12.8334 numMergedOcc 0
62 mol 220 unq 0 iso 0 dist 8.9077 10.6943 9.23153 10.4277 6.84247 6.7067 numMergedOcc 0
63 mol 220 unq 1 iso 0 dist 8.9077 10.6943 9.23153 12.6281 6.99002 15.9568 numMergedOcc 0
64 mol 220 unq 2 iso 0 dist 8.9077 15.396 8.24498 10.4277 6.84247 6.05129 numMergedOcc 0
65 mol 220 unq 3 iso 0 dist 8.9077 15.396 8.24498 12.6281 6.99002 11.1321 numMergedOcc 0
66 mol 222 unq 0 iso 0 dist 8.69148 6.52189 8.01589 8.62626 6.82208 4.8892 numMergedOcc 0
67 mol 222 unq 1 iso 0 dist 8.69148 5.33282 7.7699 8.62626 6.82208 11.0074 numMergedOcc 0
68 mol 222 unq 2 iso 0 dist 8.69148 9.97859 7.21333 8.62626 6.82208 12.2813 numMergedOcc 0
69 mol 224 unq 0 iso 0 dist 7.04127 11.7724 9.40098 9.20195 8.19953 8.64911 numMergedOcc 0
70 mol 224 unq 1 iso 0 dist 7.04127 4.55824 6.61986 9.20195 8.19953 10.7113 numMergedOcc 0
71 mol 224 unq 2 iso 0 dist 4.79841 11.4653 8.95269 5.64308 7.06793 9.36098 numMergedOcc 0
72 mol 224 unq 3 iso 0 dist 4.79841 11.4653 8.95269 7.32238 6.67585 5.29877 numMergedOcc 0
73 mol 236 unq 0 iso 0 dist 9.97357 8.3919 8.03456 11.4732 7.17676 11.8759 numMergedOcc 0
74 mol 236 unq 1 iso 0 dist 9.97357 8.3919 8.03456 14.1057 6.68463 9.07822 numMergedOcc 0
75 mol 236 unq 2 iso 0 dist 9.97357 4.88785 6.84306 11.4732 7.17676 11.3552 numMergedOcc 0
76 mol 236 unq 3 iso 0 dist 9.97357 4.88785 6.84306 14.1057 6.68463 11.6837 numMergedOcc 0
77 mol 236 unq 4 iso 0 dist 9.97357 10.2557 9.99038 11.4732 7.17676 6.04825 numMergedOcc 0
78 mol 236 unq 5 iso 0 dist 9.97357 10.2557 9.99038 14.1057 6.68463 8.8265 numMergedOcc 0
79 mol 236 unq 6 iso 0 dist 9.97357 14.6755 9.78037 11.4732 7.17676 12.6468 numMergedOcc 0
80 mol 236 unq 7 iso 0 dist 9.97357 14.6755 9.78037 14.1057 6.68463 5.80136 numMergedOcc 0
81 mol 236 unq 8 iso 0 dist 9.97357 16.5918 8.35971 11.4732 7.17676 6.40312 numMergedOcc 0
82 mol 236 unq 9 iso 0 dist 9.97357 16.5918 8.35971 14.1057 6.68463 6.2568 numMergedOcc 0
83 mol 236 unq 10 iso 0 dist 6.36941 8.3919 9.81562 11.4732 5.34718 11.8759 numMergedOcc 0
84 mol 236 unq 11 iso 0 dist 6.36941 4.88785 7.68742 11.4732 5.34718 11.3552 numMergedOcc 0
85 mol 236 unq 12 iso 0 dist 6.36941 10.2557 6.27581 11.4732 5.34718 6.04825 numMergedOcc 0
86 mol 239 unq 0 iso 0 dist 9.26156 7.10801 7.00034 13.2114 7.20082 7.04058 numMergedOcc 0
87 mol 248 unq 0 iso 0 dist 6.44967 9.48478 7.69895 7.99967 8.50864 10.1857 numMergedOcc 0
88 mol 253 unq 0 iso 0 dist 8.53729 16.1265 9.02271 15.6651 7.19465 7.92528 numMergedOcc 0
89 mol 253 unq 1 iso 0 dist 8.07341 16.581 9.02271 14.0411 7.19465 7.92528 numMergedOcc 0
90 mol 256 unq 0 iso 0 dist 8.43264 6.19628 8.29103 8.04009 5.24676 4.22352 numMergedOcc 0
91 mol 265 unq 0 iso 0 dist 7.54805 12.5953 8.4218 8.3872 6.34034 6.43013 numMergedOcc 0
92 mol 272 unq 0 iso 0 dist 8.82094 4.78295 8.48753 10.6582 7.67853 6.64985 numMergedOcc 0
93 mol 272 unq 1 iso 0 dist 9.80332 8.26567 8.48753 5.96784 7.67853 6.64985 numMergedOcc 0
94 mol 272 unq 2 iso 0 dist 4.78812 5.27123 8.33638 6.99865 6.73206 5.63139 numMergedOcc 0
95 mol 272 unq 3 iso 0 dist 6.62923 11.9042 9.97651 6.99865 9.09992 10.841 numMergedOcc 0
96 mol 272 unq 4 iso 0 dist 6.62923 11.9042 9.97651 10.3424 6.16449 4.72202 numMergedOcc 0
97 mol 272 unq 5 iso 0 dist 6.62923 5.27123 8.46116 6.99865 9.09992 5.63139 numMergedOcc 0
98 mol 272 unq 6 iso 0 dist 6.62923 5.27123 8.46116 10.3424 6.16449 8.52877 numMergedOcc 0
99 mol 276 unq 0 iso 0 dist 5.30976 7.38126 9.8993 10.4141 8.76347 7.54851 numMergedOcc 0
100 mol 276 unq 1 iso 0 dist 5.30976 6.39319 6.87396 10.4141 8.76347 6.4102 numMergedOcc 0
101 mol 282 unq 0 iso 0 dist 8.58671 8.13794 8.04483 4.91806 6.85028 6.3384 numMergedOcc 0
102 mol 282 unq 1 iso 0 dist 9.51581 9.67023 6.33524 10.8603 7.32347 6.3384 numMergedOcc 0
