0 mol 0 unq 0 iso 0 dist 8.82652 10.1875 9.72725 12.7669 6.0225 7.65806 numMergedOcc 0
1 mol 7 unq 0 iso 0 dist 9.96415 14.6751 9.67164 14.5008 13.156 7.10621 numMergedOcc 0
2 mol 7 unq 1 iso 0 dist 9.96415 7.15287 5.99459 6.22892 6.88805 8.41585 numMergedOcc 0
3 mol 24 unq 0 iso 0 dist 8.14598 9.20254 7.95042 6.85331 5.69214 6.86014 numMergedOcc 0
4 mol 24 unq 1 iso 0 dist 8.14598 9.20254 7.95042 10.4452 5.11636 8.86116 numMergedOcc 0
5 mol 38 unq 0 iso 0 dist 4.74069 7.46414 7.26639 8.80956 4.40004 7.50293 numMergedOcc 0
6 mol 38 unq 1 iso 0 dist 4.74069 7.46414 7.26639 12.4417 8.68364 9.91611 numMergedOcc 0
7 mol 43 unq 0 iso 0 dist 9.0979 10.1001 6.66407 11.7216 5.07458 5.73819 numMergedOcc 0
8 mol 56 unq 0 iso 0 dist 8.25594 15.6547 9.03564 14.6148 6.75591 8.66265 numMergedOcc 0
9 mol 58 unq 0 iso 0 dist 6.88243 7.93761 5.38524 11.2558 5.61579 6.81627 numMergedOcc 0
10 mol 58 unq 1 iso 0 dist 6.88243 13.2851 8.69057 11.2558 5.61579 7.32874 numMergedOcc 0
11 mol 73 unq 0 iso 0 dist 5.82056 4.30874 5.5087 11.6749 11.2069 8.70481 numMergedOcc 0
12 mol 73 unq 1 iso 0 dist 9.09115 4.30874 6.08682 11.6749 10.6713 8.70481 numMergedOcc 0
13 mol 88 unq 0 iso 0 dist 9.76849 14.7449 7.80898 15.7759 12.1193 9.36773 numMergedOcc 0
14 mol 95 unq 0 iso 0 dist 8.23073 7.95165 8.27883 10.1171 4.99174 9.03572 numMergedOcc 0
15 mol 95 unq 1 iso 0 dist 8.23073 7.95165 8.27883 14.2142 8.67311 8.83255 numMergedOcc 0
16 mol 95 unq 2 iso 0 dist 8.23073 7.95165 8.27883 14.7115 15.6249 8.03644 numMergedOcc 0
17 mol 98 unq 0 iso 0 dist 6.84952 5.82029 7.02507 10.8197 7.03983 6.48948 numMergedOcc 0
18 mol 115 unq 0 iso 0 dist 8.86846 6.06198 6.04595 12.411 5.03039 7.30858 numMergedOcc 0
19 mol 129 unq 0 iso 0 dist 9.31543 4.80675 6.69691 10.1938 8.26896 8.54584 numMergedOcc 0
20 mol 129 unq 1 iso 0 dist 9.71342 6.29782 5.58833 10.514 9.00231 5.83384 numMergedOcc 0
21 mol 129 unq 2 iso 0 dist 8.57774 5.99695 5.58833 10.482 9.00231 5.83384 numMergedOcc 0
22 mol 129 unq 3 iso 0 dist 8.85652 4.80675 5.51197 10.1938 12.1739 8.54584 numMergedOcc 0
23 mol 130 unq 0 iso 0 dist 9.67398 7.09664 6.93139 9.05626 4.97996 8.70949 numMergedOcc 0
24 mol 130 unq 1 iso 0 dist 7.15213 7.49673 6.93139 11.7446 4.97996 8.70949 numMergedOcc 0
25 mol 132 unq 0 iso 0 dist 8.62632 11.6877 6.89918 17.544 12.9631 7.7059 numMergedOcc 0
26 mol 133 unq 0 iso 0 dist 9.7105 9.71227 7.22643 7.15203 6.9945 8.22656 numMergedOcc 0
27 mol 133 unq 1 iso 0 dist 9.7105 9.71227 7.22643 11.0475 4.19723 6.82262 numMergedOcc 0
28 mol 143 unq 0 iso 0 dist 9.70788 10.1013 7.36975 12.8179 13.1926 5.99315 numMergedOcc 0
29 mol 152 unq 0 iso 0 dist 9.17216 6.62991 6.59889 11.2249 5.39112 8.56324 numMergedOcc 0
30 mol 152 unq 1 iso 0 dist 9.17216 13.4463 6.70693 13.9365 4.94983 5.87555 numMergedOcc 0
31 mol 152 unq 2 iso 0 dist 9.17216 13.4463 6.70693 11.2249 5.39112 6.70283 numMergedOcc 0
32 mol 152 unq 3 iso 0 dist 9.17216 13.4463 6.70693 17.5113 9.67475 8.67331 numMergedOcc 0
33 mol 152 unq 4 iso 0 dist 9.40483 7.17016 6.59889 13.9298 5.39112 8.56324 numMergedOcc 0
34 mol 152 unq 5 iso 0 dist 9.40483 11.3742 6.70693 13.1463 4.94983 5.87555 numMergedOcc 0
35 mol 152 unq 6 iso 0 dist 9.40483 11.3742 6.70693 13.9298 5.39112 6.70283 numMergedOcc 0
36 mol 152 unq 7 iso 0 dist 9.40483 11.3742 6.70693 18.3042 9.67475 8.67331 numMergedOcc 0
37 mol 152 unq 8 iso 0 dist 9.44172 6.62991 8.9192 11.2249 4.84714 8.56324 numMergedOcc 0
38 mol 155 unq 0 iso 0 dist 5.55218 13.8829 8.97626 14.5075 9.16779 7.46303 numMergedOcc 0
39 mol 155 unq 1 iso 0 dist 5.55218 13.8829 8.97626 9.91732 4.91785 6.43582 numMergedOcc 0
40 mol 181 unq 0 iso 0 dist 8.39573 12.5935 9.01624 13.3844 5.71898 7.81386 numMergedOcc 0
41 mol 181 unq 1 iso 0 dist 8.39573 12.5935 9.01624 9.63295 5.93724 7.63312 numMergedOcc 0
42 mol 182 unq 0 iso 0 dist 8.8774 4.85077 9.56028 12.503 8.82964 9.31746 numMergedOcc 0
43 mol 192 unq 0 iso 0 dist 9.63224 6.34098 9.78634 11.1541 9.53265 5.59424 numMergedOcc 0
44 mol 192 unq 1 iso 0 dist 6.98794 6.34098 5.64942 11.1541 6.35474 5.59424 numMergedOcc 0
45 mol 192 unq 2 iso 0 dist 6.98794 9.57246 6.97962 11.1541 6.35474 7.00794 numMergedOcc 0
46 mol 205 unq 0 iso 0 dist 6.75579 4.25942 6.52816 9.82156 9.49403 6.03031 numMergedOcc 0
47 mol 205 unq 1 iso 0 dist 6.75579 4.25942 6.52816 10.4618 13.514 7.26832 numMergedOcc 0
48 mol 205 unq 2 iso 0 dist 6.75579 4.25942 6.52816 9.3629 3.56269 7.80463 numMergedOcc 0
49 mol 223 unq 0 iso 0 dist 7.27963 10.6103 6.42257 10.5187 4.04036 8.77153 numMergedOcc 0
50 mol 223 unq 1 iso 0 dist 7.27963 10.6103 6.42257 16.5225 9.47076 8.6166 numMergedOcc 0
51 mol 224 unq 0 iso 0 dist 8.57781 15.4433 8.08349 13.3678 5.13732 6.61986 numMergedOcc 0
52 mol 224 unq 1 iso 0 dist 5.36326 4.55824 8.08349 7.04127 5.13732 6.61986 numMergedOcc 0
53 mol 236 unq 0 iso 0 dist 9.67162 5.52669 8.23087 6.73134 4.66414 8.04248 numMergedOcc 0
54 mol 238 unq 0 iso 0 dist 9.67281 7.01206 9.12776 13.8075 10.3162 7.31233 numMergedOcc 0
55 mol 238 unq 1 iso 0 dist 9.67281 11.2453 9.72188 11.7876 7.06793 5.72887 numMergedOcc 0
56 mol 259 unq 0 iso 0 dist 8.40328 6.18571 5.85442 13.6279 10.067 7.46176 numMergedOcc 0
57 mol 259 unq 1 iso 0 dist 8.40328 12.3834 6.9899 14.9752 7.09907 5.30224 numMergedOcc 0
58 mol 259 unq 2 iso 0 dist 8.2518 11.0067 9.46361 16.342 12.2293 8.13497 numMergedOcc 0
59 mol 259 unq 3 iso 0 dist 8.2518 11.0067 9.46361 13.6279 11.6988 7.88519 numMergedOcc 0
60 mol 259 unq 4 iso 0 dist 8.2518 6.18571 6.95511 13.6279 11.6988 7.46176 numMergedOcc 0
61 mol 272 unq 0 iso 0 dist 5.38409 4.78295 6.44147 8.82094 5.12237 8.48753 numMergedOcc 0
62 mol 272 unq 1 iso 0 dist 8.45524 8.26567 6.44147 9.80332 5.12237 8.48753 numMergedOcc 0
63 mol 277 unq 0 iso 0 dist 9.91103 5.77904 8.9682 8.35794 17.6038 9.7748 numMergedOcc 0
64 mol 277 unq 1 iso 0 dist 7.0603 5.77904 6.92711 8.35794 14.772 9.7748 numMergedOcc 0
65 mol 280 unq 0 iso 0 dist 7.4869 6.07005 6.02353 10.6192 4.90315 6.53701 numMergedOcc 0
66 mol 280 unq 1 iso 0 dist 7.4869 7.38048 6.86234 10.6192 4.90315 6.0664 numMergedOcc 0
