0 mol 26 unq 0 iso 0 dist 9.15677 16.4682 8.34347 15.7188 6.73162 7.23546 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 9.61029 14.3476 8.34347 7.95969 6.73162 7.23546 numMergedOcc 0
2 mol 52 unq 0 iso 0 dist 7.68916 11.9986 9.80098 10.6328 7.18176 5.93337 numMergedOcc 0
3 mol 52 unq 1 iso 0 dist 7.68916 13.3091 7.34143 10.6328 7.18176 4.5482 numMergedOcc 0
4 mol 52 unq 2 iso 0 dist 7.47417 8.90624 9.80098 10.4155 7.18176 5.93337 numMergedOcc 0
5 mol 52 unq 3 iso 0 dist 7.47417 13.0115 7.34143 10.4155 7.18176 4.5482 numMergedOcc 0
6 mol 54 unq 0 iso 0 dist 7.51978 10.6355 9.5589 5.59128 5.02241 6.91765 numMergedOcc 0
7 mol 54 unq 1 iso 0 dist 7.51978 6.43082 6.83299 5.59128 5.02241 5.06052 numMergedOcc 0
8 mol 54 unq 2 iso 0 dist 7.51978 11.7347 8.10861 5.59128 5.02241 10.1332 numMergedOcc 0
9 mol 58 unq 0 iso 0 dist 8.52969 11.6772 6.81627 12.9126 8.26899 5.98837 numMergedOcc 0
10 mol 58 unq 1 iso 0 dist 8.52969 9.0406 7.32874 12.9126 8.26899 4.55117 numMergedOcc 0
11 mol 58 unq 2 iso 0 dist 8.52969 4.98107 9.55426 12.9126 8.26899 10.3782 numMergedOcc 0
12 mol 59 unq 0 iso 0 dist 7.67586 5.03832 6.85766 10.9894 6.71911 7.29033 numMergedOcc 0
13 mol 59 unq 1 iso 0 dist 7.67586 11.7065 7.71095 10.9894 6.71911 5.33688 numMergedOcc 0
14 mol 59 unq 2 iso 0 dist 8.97292 7.2878 6.85766 9.55542 6.71911 7.29033 numMergedOcc 0
15 mol 59 unq 3 iso 0 dist 8.97292 14.1347 7.71095 9.55542 6.71911 5.33688 numMergedOcc 0
16 mol 70 unq 0 iso 0 dist 9.74268 6.95018 9.65964 10.7301 7.92394 6.65811 numMergedOcc 0
17 mol 70 unq 1 iso 0 dist 9.74268 6.95018 9.65964 11.7565 9.93423 5.47516 numMergedOcc 0
18 mol 70 unq 2 iso 0 dist 9.74268 6.95018 9.65964 12.3296 9.34122 11.0952 numMergedOcc 0
19 mol 86 unq 0 iso 0 dist 7.26032 5.91309 9.5497 11.9674 7.79359 9.68893 numMergedOcc 0
20 mol 86 unq 1 iso 0 dist 5.49793 5.82069 9.5497 4.51657 7.79359 9.68893 numMergedOcc 0
21 mol 100 unq 0 iso 0 dist 5.09688 9.65979 6.45675 10.6273 8.72704 7.2495 numMergedOcc 0
22 mol 100 unq 1 iso 0 dist 5.09688 12.2879 7.47343 10.6273 8.72704 10.1589 numMergedOcc 0
23 mol 100 unq 2 iso 0 dist 5.09688 10.2364 8.86688 10.6273 8.72704 15.9331 numMergedOcc 0
24 mol 100 unq 3 iso 0 dist 9.26343 13.666 6.45675 11.6898 8.72704 7.2495 numMergedOcc 0
25 mol 100 unq 4 iso 0 dist 9.26343 16.4386 7.47343 11.6898 8.72704 10.1589 numMergedOcc 0
26 mol 100 unq 5 iso 0 dist 9.26343 15.5646 8.86688 11.6898 8.72704 15.9331 numMergedOcc 0
27 mol 114 unq 0 iso 0 dist 5.87387 6.4595 7.5732 6.2394 8.71128 5.80557 numMergedOcc 0
28 mol 114 unq 1 iso 0 dist 6.06543 5.51609 7.35754 6.2394 7.52743 4.77056 numMergedOcc 0
29 mol 117 unq 0 iso 0 dist 9.41387 6.54872 9.84395 6.69306 6.62561 11.3679 numMergedOcc 0
30 mol 117 unq 1 iso 0 dist 9.41387 9.3855 7.90328 6.69306 6.62561 4.91401 numMergedOcc 0
31 mol 119 unq 0 iso 0 dist 8.32004 6.92096 9.87172 5.66952 9.38288 11.7228 numMergedOcc 0
32 mol 119 unq 1 iso 0 dist 8.32004 6.92096 9.87172 4.91188 6.19042 6.35763 numMergedOcc 0
33 mol 119 unq 2 iso 0 dist 8.32004 6.92096 9.87172 7.01214 7.44174 7.36192 numMergedOcc 0
34 mol 127 unq 0 iso 0 dist 9.79448 7.78467 8.14887 11.8721 8.59981 14.9761 numMergedOcc 0
35 mol 127 unq 1 iso 0 dist 9.79448 7.78467 8.14887 11.5439 7.34519 7.41404 numMergedOcc 0
36 mol 127 unq 2 iso 0 dist 9.79448 6.02237 9.30299 11.8721 8.59981 14.085 numMergedOcc 0
37 mol 127 unq 3 iso 0 dist 9.79448 6.02237 9.30299 11.5439 7.34519 13.1312 numMergedOcc 0
38 mol 131 unq 0 iso 0 dist 9.69757 6.82985 7.12972 12.4356 8.6243 6.19596 numMergedOcc 0
39 mol 132 unq 0 iso 0 dist 9.0339 15.9368 7.7059 9.29705 6.03703 9.92344 numMergedOcc 0
40 mol 134 unq 0 iso 0 dist 6.99089 10.1742 6.54501 15.1358 8.6355 10.1448 numMergedOcc 0
41 mol 134 unq 1 iso 0 dist 6.99089 12.6542 6.49416 15.1358 8.6355 5.41704 numMergedOcc 0
42 mol 156 unq 0 iso 0 dist 7.80643 6.52984 7.44554 5.58352 9.36805 6.29785 numMergedOcc 0
43 mol 167 unq 0 iso 0 dist 6.64164 5.361 9.87651 6.90242 8.62646 6.58937 numMergedOcc 0
44 mol 175 unq 0 iso 0 dist 8.50904 8.09861 9.0018 14.6248 9.31887 11.0415 numMergedOcc 0
45 mol 175 unq 1 iso 0 dist 8.50904 10.1323 7.652 14.6248 9.31887 5.0384 numMergedOcc 0
46 mol 175 unq 2 iso 0 dist 7.04318 8.09861 5.6234 6.61225 9.0664 5.28109 numMergedOcc 0
47 mol 175 unq 3 iso 0 dist 7.04318 10.1323 9.92231 6.61225 9.0664 7.14477 numMergedOcc 0
48 mol 181 unq 0 iso 0 dist 6.96824 8.76337 7.63312 5.54495 6.93764 4.80231 numMergedOcc 0
49 mol 181 unq 1 iso 0 dist 9.25528 18.2027 9.1374 14.3955 6.94688 6.25083 numMergedOcc 0
50 mol 181 unq 2 iso 0 dist 9.25528 18.2027 9.1374 15.6271 6.71012 4.77278 numMergedOcc 0
51 mol 181 unq 3 iso 0 dist 9.25528 11.4901 5.98885 14.3955 6.94688 5.86342 numMergedOcc 0
52 mol 181 unq 4 iso 0 dist 9.25528 11.4901 5.98885 15.6271 6.71012 9.14057 numMergedOcc 0
53 mol 181 unq 5 iso 0 dist 9.25528 11.9545 9.15386 14.3955 6.94688 6.80228 numMergedOcc 0
54 mol 181 unq 6 iso 0 dist 9.25528 11.9545 9.15386 15.6271 6.71012 11.6919 numMergedOcc 0
55 mol 182 unq 0 iso 0 dist 6.31492 7.48422 9.31746 5.37421 6.73313 11.1088 numMergedOcc 0
56 mol 182 unq 1 iso 0 dist 7.8621 6.98787 9.31746 13.0784 6.73313 11.1088 numMergedOcc 0
57 mol 204 unq 0 iso 0 dist 7.92766 14.0488 7.10633 13.2566 5.90931 5.09262 numMergedOcc 0
58 mol 204 unq 1 iso 0 dist 7.92766 7.58285 8.51516 13.2566 5.90931 12.9483 numMergedOcc 0
59 mol 205 unq 0 iso 0 dist 7.36642 4.87114 6.03031 7.13867 9.19704 8.66809 numMergedOcc 0
60 mol 205 unq 1 iso 0 dist 7.36642 9.43922 7.26832 7.13867 9.19704 6.23291 numMergedOcc 0
61 mol 205 unq 2 iso 0 dist 7.36642 6.98312 7.80463 7.13867 9.19704 13.231 numMergedOcc 0
62 mol 214 unq 0 iso 0 dist 6.83122 9.3424 9.65138 8.77336 6.97182 6.16485 numMergedOcc 0
63 mol 214 unq 1 iso 0 dist 6.83122 9.3424 9.65138 10.8541 6.1175 11.5712 numMergedOcc 0
64 mol 214 unq 2 iso 0 dist 6.83122 12.2622 7.14453 8.77336 6.97182 5.33565 numMergedOcc 0
65 mol 214 unq 3 iso 0 dist 6.83122 12.2622 7.14453 10.8541 6.1175 5.06792 numMergedOcc 0
66 mol 214 unq 4 iso 0 dist 6.83122 6.75833 8.85478 8.77336 6.97182 8.47007 numMergedOcc 0
67 mol 214 unq 5 iso 0 dist 6.83122 6.75833 8.85478 10.8541 6.1175 12.8334 numMergedOcc 0
68 mol 224 unq 0 iso 0 dist 7.69537 5.92906 9.40098 11.3668 8.19953 8.64911 numMergedOcc 0
69 mol 224 unq 1 iso 0 dist 7.69537 5.41675 6.61986 11.3668 8.19953 10.7113 numMergedOcc 0
70 mol 227 unq 0 iso 0 dist 6.18486 6.78651 7.55216 5.31715 8.83563 11.662 numMergedOcc 0
71 mol 238 unq 0 iso 0 dist 9.82174 10.4397 6.57393 12.5765 6.91569 10.9761 numMergedOcc 0
72 mol 238 unq 1 iso 0 dist 7.13194 9.05069 5.72887 14.751 9.29858 13.069 numMergedOcc 0
73 mol 238 unq 2 iso 0 dist 7.80166 6.77788 5.72887 12.4266 9.29858 13.069 numMergedOcc 0
74 mol 239 unq 0 iso 0 dist 8.49673 6.10412 7.00034 4.68558 7.20082 7.04058 numMergedOcc 0
75 mol 249 unq 0 iso 0 dist 6.42827 8.22485 7.57994 5.63238 8.83735 5.23473 numMergedOcc 0
76 mol 249 unq 1 iso 0 dist 6.42827 6.77698 6.18582 5.63238 8.83735 7.38675 numMergedOcc 0
77 mol 253 unq 0 iso 0 dist 5.76077 9.0081 9.02271 10.6548 7.19465 7.92528 numMergedOcc 0
78 mol 253 unq 1 iso 0 dist 7.0247 10.9027 9.02271 3.494 7.19465 7.92528 numMergedOcc 0
79 mol 265 unq 0 iso 0 dist 4.96568 5.25115 8.4218 6.67645 6.34034 6.43013 numMergedOcc 0
80 mol 272 unq 0 iso 0 dist 7.22438 10.3544 8.33638 6.68919 6.73206 5.63139 numMergedOcc 0
81 mol 272 unq 1 iso 0 dist 7.66615 11.4664 9.97651 6.68919 9.09992 10.841 numMergedOcc 0
82 mol 272 unq 2 iso 0 dist 7.66615 11.4664 9.97651 8.13036 6.16449 4.72202 numMergedOcc 0
83 mol 272 unq 3 iso 0 dist 7.66615 10.3544 8.46116 6.68919 9.09992 5.63139 numMergedOcc 0
84 mol 272 unq 4 iso 0 dist 7.66615 10.3544 8.46116 8.13036 6.16449 8.52877 numMergedOcc 0
85 mol 282 unq 0 iso 0 dist 7.90792 8.93697 6.33524 6.63358 7.32347 6.3384 numMergedOcc 0
86 mol 294 unq 0 iso 0 dist 7.1984 6.23921 8.15665 6.28374 9.03492 6.17102 numMergedOcc 0
