0 mol 14 unq 0 iso 0 dist 6.11408 8.54362 8.66151 5.80918 8.51178 8.23238 numMergedOcc 0
1 mol 14 unq 1 iso 0 dist 6.11408 8.54362 8.66151 8.39619 7.04966 14.4354 numMergedOcc 0
2 mol 36 unq 0 iso 0 dist 8.9566 8.61422 6.03866 5.57356 5.83354 8.97567 numMergedOcc 0
3 mol 36 unq 1 iso 0 dist 9.98689 8.9353 8.02028 6.76635 8.47497 9.96441 numMergedOcc 0
4 mol 36 unq 2 iso 0 dist 4.10339 6.6055 6.03866 5.19317 5.83354 8.97567 numMergedOcc 0
5 mol 37 unq 0 iso 0 dist 8.40835 9.7385 12.0019 13.4556 9.25986 19.9258 numMergedOcc 0
6 mol 55 unq 0 iso 0 dist 8.74565 8.77395 13.1058 6.03377 8.07849 14.1823 numMergedOcc 0
7 mol 55 unq 1 iso 0 dist 8.74565 6.91288 14.3366 6.03377 8.07849 12.1744 numMergedOcc 0
8 mol 55 unq 2 iso 0 dist 8.74565 8.60087 9.31655 6.03377 8.07849 12.8528 numMergedOcc 0
9 mol 62 unq 0 iso 0 dist 7.30392 6.42645 13.0684 10.9933 7.61631 14.2607 numMergedOcc 0
10 mol 86 unq 0 iso 0 dist 9.94012 8.39775 14.4687 15.1412 8.39046 21.8996 numMergedOcc 0
11 mol 86 unq 1 iso 0 dist 9.94012 8.39775 14.4687 9.27344 8.39947 14.9965 numMergedOcc 0
12 mol 103 unq 0 iso 0 dist 8.70106 7.85115 11.2795 11.4822 7.81042 11.8039 numMergedOcc 0
13 mol 148 unq 0 iso 0 dist 6.72591 7.91749 8.03052 7.50382 9.71692 14.9179 numMergedOcc 0
14 mol 150 unq 0 iso 0 dist 6.80192 7.96309 8.06512 7.48524 9.73708 14.9398 numMergedOcc 0
15 mol 165 unq 0 iso 0 dist 3.87901 6.74196 4.89071 9.24409 8.2197 5.03758 numMergedOcc 0
16 mol 165 unq 1 iso 0 dist 5.04534 6.72652 4.89071 6.58447 8.2197 5.03758 numMergedOcc 0
17 mol 165 unq 2 iso 0 dist 5.04534 6.4503 6.22764 6.58447 8.2197 4.63353 numMergedOcc 0
18 mol 167 unq 0 iso 0 dist 6.6514 8.87575 11.6251 10.8805 9.82329 19.3997 numMergedOcc 0
19 mol 184 unq 0 iso 0 dist 9.0757 9.35481 16.095 16.3549 9.45847 20.1553 numMergedOcc 0
20 mol 184 unq 1 iso 0 dist 9.0757 9.35481 16.095 6.55123 7.895 15.0152 numMergedOcc 0
21 mol 184 unq 2 iso 0 dist 9.0757 9.11936 7.551 16.3549 9.45847 10.5052 numMergedOcc 0
22 mol 184 unq 3 iso 0 dist 9.0757 9.11936 7.551 6.55123 7.895 11.4395 numMergedOcc 0
23 mol 184 unq 4 iso 0 dist 9.0757 8.20517 4.75805 16.3549 9.45847 8.98606 numMergedOcc 0
24 mol 184 unq 5 iso 0 dist 9.0757 8.20517 4.75805 6.55123 7.895 10.0245 numMergedOcc 0
25 mol 184 unq 6 iso 0 dist 9.39563 9.15923 4.75805 3.95306 9.45847 8.98606 numMergedOcc 0
26 mol 184 unq 7 iso 0 dist 9.39563 9.15923 4.75805 17.0877 7.895 10.0245 numMergedOcc 0
27 mol 184 unq 8 iso 0 dist 9.39563 7.79098 11.6574 3.95306 9.45847 8.7823 numMergedOcc 0
28 mol 184 unq 9 iso 0 dist 9.39563 7.79098 11.6574 17.0877 7.895 17.6409 numMergedOcc 0
29 mol 184 unq 10 iso 0 dist 7.51045 6.03505 4.75805 9.14602 9.45847 8.98606 numMergedOcc 0
30 mol 184 unq 11 iso 0 dist 7.51045 6.03505 4.75805 13.1965 7.895 10.0245 numMergedOcc 0
31 mol 184 unq 12 iso 0 dist 7.51045 6.30144 11.6574 9.14602 9.45847 8.7823 numMergedOcc 0
32 mol 184 unq 13 iso 0 dist 7.51045 6.30144 11.6574 13.1965 7.895 17.6409 numMergedOcc 0
33 mol 186 unq 0 iso 0 dist 8.98221 7.93815 12.6927 13.6469 9.08767 18.7356 numMergedOcc 0
34 mol 192 unq 0 iso 0 dist 9.67207 8.42665 9.82858 8.0557 7.30965 13.0939 numMergedOcc 0
35 mol 204 unq 0 iso 0 dist 4.90334 9.06088 6.08881 6.42715 7.00683 12.3726 numMergedOcc 0
36 mol 214 unq 0 iso 0 dist 5.12798 9.22105 6.23176 7.70847 9.81136 10.4242 numMergedOcc 0
37 mol 214 unq 1 iso 0 dist 5.12798 9.22105 6.23176 6.52672 7.25293 12.6463 numMergedOcc 0
38 mol 254 unq 0 iso 0 dist 9.73281 8.4346 11.7618 14.9316 7.53352 15.0413 numMergedOcc 0
39 mol 254 unq 1 iso 0 dist 9.73281 8.4346 11.7618 13.1153 7.80793 16.4133 numMergedOcc 0
40 mol 254 unq 2 iso 0 dist 9.73281 7.97728 11.7378 14.9316 7.53352 16.2229 numMergedOcc 0
41 mol 254 unq 3 iso 0 dist 9.73281 7.97728 11.7378 13.1153 7.80793 17.2962 numMergedOcc 0
42 mol 282 unq 0 iso 0 dist 6.15396 8.36459 4.4471 5.46739 8.61456 11.9006 numMergedOcc 0
43 mol 282 unq 1 iso 0 dist 9.18964 8.36459 10.1631 5.46739 8.41041 11.9006 numMergedOcc 0
44 mol 283 unq 0 iso 0 dist 6.3448 8.3831 7.39416 11.5049 8.3815 15.7588 numMergedOcc 0
45 mol 283 unq 1 iso 0 dist 6.3448 8.3831 7.39416 5.47552 7.13925 10.1843 numMergedOcc 0
46 mol 283 unq 2 iso 0 dist 6.3448 8.44179 5.78526 11.5049 8.3815 13.0268 numMergedOcc 0
47 mol 283 unq 3 iso 0 dist 6.3448 8.44179 5.78526 5.47552 7.13925 11.5124 numMergedOcc 0
48 mol 285 unq 0 iso 0 dist 9.03396 6.41777 4.39911 6.59466 8.08495 7.9002 numMergedOcc 0
49 mol 285 unq 1 iso 0 dist 4.09984 6.41777 5.42273 9.64395 8.70702 8.26827 numMergedOcc 0
50 mol 285 unq 2 iso 0 dist 4.09984 6.41777 5.42273 10.5268 9.43706 14.7976 numMergedOcc 0
51 mol 285 unq 3 iso 0 dist 4.09984 6.41777 5.42273 6.59466 9.3482 7.9002 numMergedOcc 0
52 mol 287 unq 0 iso 0 dist 4.66252 8.08382 12.1302 5.44878 4.49185 11.2301 numMergedOcc 0
53 mol 288 unq 0 iso 0 dist 4.66252 8.08382 12.1302 5.44878 4.49185 11.2301 numMergedOcc 0
54 mol 289 unq 0 iso 0 dist 4.66252 8.08382 12.1302 5.44878 4.49185 11.2301 numMergedOcc 0
