0 mol 9 unq 0 iso 0 dist 9.93613 11.7623 9.78006 9.03359 8.04924 5.60154 numMergedOcc 0
1 mol 13 unq 0 iso 0 dist 5.04036 5.6314 5.78148 11.1067 8.00865 13.1699 numMergedOcc 0
2 mol 13 unq 1 iso 0 dist 5.04036 5.6314 5.78148 13.4623 9.11447 11.1987 numMergedOcc 0
3 mol 13 unq 2 iso 0 dist 5.04036 4.17261 6.26071 11.1067 8.00865 10.5634 numMergedOcc 0
4 mol 13 unq 3 iso 0 dist 5.04036 4.17261 6.26071 13.4623 9.11447 12.0488 numMergedOcc 0
5 mol 13 unq 4 iso 0 dist 5.04036 6.68749 8.43325 11.1067 8.00865 8.66829 numMergedOcc 0
6 mol 13 unq 5 iso 0 dist 5.04036 6.68749 8.43325 13.4623 9.11447 14.2112 numMergedOcc 0
7 mol 13 unq 6 iso 0 dist 9.44958 11.3605 5.78148 11.4587 8.00865 13.1699 numMergedOcc 0
8 mol 13 unq 7 iso 0 dist 9.44958 11.3605 5.78148 4.14738 9.11447 11.1987 numMergedOcc 0
9 mol 13 unq 8 iso 0 dist 9.44958 13.8587 6.26071 11.4587 8.00865 10.5634 numMergedOcc 0
10 mol 13 unq 9 iso 0 dist 9.44958 13.8587 6.26071 4.14738 9.11447 12.0488 numMergedOcc 0
11 mol 13 unq 10 iso 0 dist 9.44958 16.4369 8.43325 11.4587 8.00865 8.66829 numMergedOcc 0
12 mol 13 unq 11 iso 0 dist 9.44958 16.4369 8.43325 4.14738 9.11447 14.2112 numMergedOcc 0
13 mol 26 unq 0 iso 0 dist 6.73259 4.09495 5.69955 10.1809 7.61055 9.87119 numMergedOcc 0
14 mol 26 unq 1 iso 0 dist 6.73259 8.18809 8.6385 10.1809 7.61055 4.74747 numMergedOcc 0
15 mol 26 unq 2 iso 0 dist 8.60352 8.26353 5.69955 4.53839 7.61055 9.87119 numMergedOcc 0
16 mol 26 unq 3 iso 0 dist 8.60352 7.06347 8.6385 4.53839 7.61055 4.74747 numMergedOcc 0
17 mol 44 unq 0 iso 0 dist 7.03812 11.0744 7.52117 9.60832 9.17518 5.87283 numMergedOcc 0
18 mol 44 unq 1 iso 0 dist 7.03812 11.0744 7.52117 5.27237 8.21833 10.6223 numMergedOcc 0
19 mol 93 unq 0 iso 0 dist 8.42713 17.674 9.81831 12.5605 7.85041 8.58164 numMergedOcc 0
20 mol 93 unq 1 iso 0 dist 8.42713 15.232 9.12858 12.5605 7.85041 9.67788 numMergedOcc 0
21 mol 93 unq 2 iso 0 dist 8.42713 12.5871 9.4523 12.5605 7.85041 5.33106 numMergedOcc 0
22 mol 93 unq 3 iso 0 dist 8.21032 6.25741 9.81831 10.878 7.85041 8.58164 numMergedOcc 0
23 mol 93 unq 4 iso 0 dist 8.21032 10.0172 9.12858 10.878 7.85041 9.67788 numMergedOcc 0
24 mol 93 unq 5 iso 0 dist 8.21032 13.6269 9.4523 10.878 7.85041 5.33106 numMergedOcc 0
25 mol 120 unq 0 iso 0 dist 9.27951 5.89379 8.93905 9.70923 8.43028 8.94259 numMergedOcc 0
26 mol 130 unq 0 iso 0 dist 7.62584 11.4663 8.33077 4.9574 6.42785 8.84655 numMergedOcc 0
27 mol 130 unq 1 iso 0 dist 7.39532 3.96103 8.33077 6.53156 6.42785 8.84655 numMergedOcc 0
28 mol 130 unq 2 iso 0 dist 6.62468 13.474 9.28592 6.53156 6.82089 10.3933 numMergedOcc 0
29 mol 130 unq 3 iso 0 dist 6.62468 13.474 9.28592 4.72188 5.38314 9.16988 numMergedOcc 0
30 mol 147 unq 0 iso 0 dist 6.4752 8.95179 5.49226 4.10092 5.1101 5.08802 numMergedOcc 0
31 mol 147 unq 1 iso 0 dist 6.4752 8.95179 5.49226 4.47436 7.01133 10.1972 numMergedOcc 0
32 mol 147 unq 2 iso 0 dist 6.4752 10.5583 6.28351 4.10092 5.1101 8.59354 numMergedOcc 0
33 mol 147 unq 3 iso 0 dist 6.4752 10.5583 6.28351 4.47436 7.01133 8.54341 numMergedOcc 0
34 mol 148 unq 0 iso 0 dist 5.06687 5.59872 9.02318 11.6995 8.12589 12.144 numMergedOcc 0
35 mol 148 unq 1 iso 0 dist 5.06687 9.27313 9.74542 11.6995 8.12589 10.2478 numMergedOcc 0
36 mol 148 unq 2 iso 0 dist 5.06687 8.61198 7.97543 11.6995 8.12589 6.29254 numMergedOcc 0
37 mol 150 unq 0 iso 0 dist 5.09809 9.25213 9.6606 11.8035 8.11592 10.2318 numMergedOcc 0
38 mol 150 unq 1 iso 0 dist 5.09809 8.68422 7.85526 11.8035 8.11592 6.25747 numMergedOcc 0
39 mol 150 unq 2 iso 0 dist 5.09809 5.56996 8.94552 11.8035 8.11592 12.154 numMergedOcc 0
40 mol 158 unq 0 iso 0 dist 6.92225 9.86605 7.88319 5.49464 6.39981 6.63727 numMergedOcc 0
41 mol 159 unq 0 iso 0 dist 9.90625 10.6428 7.25742 8.34466 7.13269 4.57561 numMergedOcc 0
42 mol 175 unq 0 iso 0 dist 9.12296 4.27736 7.35824 10.3187 7.01126 11.1651 numMergedOcc 0
43 mol 194 unq 0 iso 0 dist 7.47107 10.2633 6.26839 11.5684 9.77862 15.9311 numMergedOcc 0
44 mol 194 unq 1 iso 0 dist 7.47107 9.36943 8.12346 11.5684 9.77862 13.7758 numMergedOcc 0
45 mol 194 unq 2 iso 0 dist 7.47107 7.72655 8.83356 11.5684 9.77862 5.38925 numMergedOcc 0
46 mol 194 unq 3 iso 0 dist 7.47107 4.57265 8.2654 11.5684 9.77862 14.2415 numMergedOcc 0
47 mol 218 unq 0 iso 0 dist 9.86462 4.29962 8.0751 6.34706 6.23898 7.35842 numMergedOcc 0
48 mol 225 unq 0 iso 0 dist 8.28454 10.754 8.87609 8.59036 7.29542 5.06326 numMergedOcc 0
49 mol 227 unq 0 iso 0 dist 8.12518 12.3465 8.38865 4.71182 9.20589 9.60993 numMergedOcc 0
50 mol 227 unq 1 iso 0 dist 8.12518 12.3465 8.38865 7.51342 7.89801 13.3557 numMergedOcc 0
51 mol 227 unq 2 iso 0 dist 8.12518 7.2593 5.4694 4.71182 9.20589 5.34702 numMergedOcc 0
52 mol 227 unq 3 iso 0 dist 8.12518 7.2593 5.4694 7.51342 7.89801 8.8709 numMergedOcc 0
53 mol 237 unq 0 iso 0 dist 9.74081 4.37008 7.42587 9.68452 7.35569 5.54394 numMergedOcc 0
54 mol 239 unq 0 iso 0 dist 8.81373 6.06308 8.67805 6.0331 7.18771 10.0774 numMergedOcc 0
55 mol 239 unq 1 iso 0 dist 8.81373 6.06308 8.67805 4.9045 7.94894 9.8202 numMergedOcc 0
56 mol 240 unq 0 iso 0 dist 8.44671 15.9853 9.47583 7.4874 8.33853 10.7371 numMergedOcc 0
57 mol 240 unq 1 iso 0 dist 8.44671 15.9853 9.47583 3.97303 5.66537 13.9225 numMergedOcc 0
58 mol 240 unq 2 iso 0 dist 8.44671 13.1893 8.44909 7.4874 8.33853 7.75407 numMergedOcc 0
59 mol 240 unq 3 iso 0 dist 8.44671 13.1893 8.44909 3.97303 5.66537 12.076 numMergedOcc 0
60 mol 252 unq 0 iso 0 dist 5.22349 8.32163 6.11473 7.31906 6.57207 4.23801 numMergedOcc 0
61 mol 252 unq 1 iso 0 dist 9.81593 8.32163 8.47784 7.31906 5.2361 4.23801 numMergedOcc 0
62 mol 252 unq 2 iso 0 dist 9.81593 8.32163 8.47784 12.2338 5.57515 13.6996 numMergedOcc 0
63 mol 252 unq 3 iso 0 dist 9.81593 8.32163 8.47784 14.2535 8.28694 15.4395 numMergedOcc 0
64 mol 252 unq 4 iso 0 dist 9.81593 10.6815 8.66469 7.31906 5.2361 9.12442 numMergedOcc 0
65 mol 252 unq 5 iso 0 dist 9.81593 10.6815 8.66469 12.2338 5.57515 7.35945 numMergedOcc 0
66 mol 252 unq 6 iso 0 dist 9.81593 10.6815 8.66469 14.2535 8.28694 5.26003 numMergedOcc 0
67 mol 252 unq 7 iso 0 dist 9.78248 16.5062 8.47784 12.8039 5.2361 4.23801 numMergedOcc 0
68 mol 252 unq 8 iso 0 dist 9.78248 16.5062 8.47784 8.32839 5.57515 13.6996 numMergedOcc 0
69 mol 252 unq 9 iso 0 dist 9.78248 16.5062 8.47784 5.63228 8.28694 15.4395 numMergedOcc 0
70 mol 252 unq 10 iso 0 dist 9.78248 9.67333 8.66469 12.8039 5.2361 9.12442 numMergedOcc 0
71 mol 252 unq 11 iso 0 dist 9.78248 9.67333 8.66469 8.32839 5.57515 7.35945 numMergedOcc 0
72 mol 252 unq 12 iso 0 dist 9.78248 9.67333 8.66469 5.63228 8.28694 5.26003 numMergedOcc 0
73 mol 264 unq 0 iso 0 dist 8.28871 11.5671 6.04162 9.63193 9.42738 8.16326 numMergedOcc 0
74 mol 264 unq 1 iso 0 dist 8.28871 13.8765 6.14323 9.63193 9.42738 12.3807 numMergedOcc 0
75 mol 264 unq 2 iso 0 dist 7.94668 5.21164 6.04162 12.2052 9.42738 8.16326 numMergedOcc 0
76 mol 264 unq 3 iso 0 dist 7.94668 6.12009 6.14323 12.2052 9.42738 12.3807 numMergedOcc 0
77 mol 272 unq 0 iso 0 dist 8.36282 9.49608 9.64269 10.5255 7.55161 4.72202 numMergedOcc 0
78 mol 272 unq 1 iso 0 dist 8.36282 5.87695 6.88809 10.5255 7.55161 8.5751 numMergedOcc 0
79 mol 272 unq 2 iso 0 dist 8.36282 12.8166 8.46061 10.5255 7.55161 8.52877 numMergedOcc 0
80 mol 277 unq 0 iso 0 dist 5.70326 9.08161 9.3936 7.49914 6.73126 6.21891 numMergedOcc 0
81 mol 279 unq 0 iso 0 dist 5.63154 5.15837 8.29305 7.73611 8.23056 5.3373 numMergedOcc 0
82 mol 279 unq 1 iso 0 dist 5.63154 8.33297 6.43341 7.73611 8.23056 7.18967 numMergedOcc 0
