0 mol 7 unq 0 iso 0 dist 5.77374 9.8603 5.70161 14.6665 12.2471 7.10621 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 8.57437 9.8603 4.57188 14.6665 10.2729 7.10621 numMergedOcc 0
2 mol 14 unq 0 iso 0 dist 9.42142 8.13983 7.00835 5.63648 8.39221 6.38364 numMergedOcc 0
3 mol 16 unq 0 iso 0 dist 9.56648 6.36377 5.35079 4.78943 9.18436 5.05803 numMergedOcc 0
4 mol 16 unq 1 iso 0 dist 9.56648 6.36377 5.35079 5.48395 5.84479 6.31718 numMergedOcc 0
5 mol 38 unq 0 iso 0 dist 9.68539 5.73067 5.64389 5.79134 11.8246 7.50293 numMergedOcc 0
6 mol 38 unq 1 iso 0 dist 9.68539 5.73067 5.64389 5.48241 12.6562 9.91611 numMergedOcc 0
7 mol 45 unq 0 iso 0 dist 9.32989 7.19021 6.22312 4.18584 9.90203 6.43774 numMergedOcc 0
8 mol 45 unq 1 iso 0 dist 9.32989 7.19021 6.22312 9.0702 12.3134 7.2846 numMergedOcc 0
9 mol 51 unq 0 iso 0 dist 6.50216 7.12423 5.27155 13.6102 13.9156 9.0709 numMergedOcc 0
10 mol 51 unq 1 iso 0 dist 9.83073 7.12423 14.6972 13.6102 22.9247 9.0709 numMergedOcc 0
11 mol 56 unq 0 iso 0 dist 9.52763 7.20538 7.91078 6.93876 14.838 8.66265 numMergedOcc 0
12 mol 59 unq 0 iso 0 dist 5.70814 7.7978 6.34264 6.8958 6.48625 7.17396 numMergedOcc 0
13 mol 59 unq 1 iso 0 dist 5.58384 9.55751 6.34264 5.85228 6.48625 7.17396 numMergedOcc 0
14 mol 61 unq 0 iso 0 dist 9.67403 8.46556 11.5608 4.90701 9.62468 6.72123 numMergedOcc 0
15 mol 71 unq 0 iso 0 dist 7.51457 8.85372 6.48988 9.64576 11.9058 7.38797 numMergedOcc 0
16 mol 73 unq 0 iso 0 dist 5.58346 6.18305 5.2774 4.69583 6.89722 6.19304 numMergedOcc 0
17 mol 73 unq 1 iso 0 dist 9.10386 6.18305 5.44275 4.69583 7.26679 6.19304 numMergedOcc 0
18 mol 86 unq 0 iso 0 dist 7.91639 8.88225 10.9597 8.73453 15.6238 9.5497 numMergedOcc 0
19 mol 88 unq 0 iso 0 dist 9.47957 9.72689 9.78625 13.7794 14.254 9.36773 numMergedOcc 0
20 mol 88 unq 1 iso 0 dist 9.4046 9.72689 12.4767 13.7794 13.3704 9.36773 numMergedOcc 0
21 mol 101 unq 0 iso 0 dist 5.5199 5.22543 5.16122 4.50603 8.77773 6.57035 numMergedOcc 0
22 mol 109 unq 0 iso 0 dist 7.66832 8.73648 5.5332 9.47324 8.21889 7.34473 numMergedOcc 0
23 mol 109 unq 1 iso 0 dist 7.66832 8.73648 5.5332 4.93112 9.74643 8.58044 numMergedOcc 0
24 mol 109 unq 2 iso 0 dist 7.66832 8.73648 5.5332 4.48038 6.86702 9.97763 numMergedOcc 0
25 mol 119 unq 0 iso 0 dist 9.44788 6.18763 6.83988 5.3154 12.1173 6.18601 numMergedOcc 0
26 mol 119 unq 1 iso 0 dist 9.44788 8.44385 14.8957 12.1192 20.2439 9.87172 numMergedOcc 0
27 mol 119 unq 2 iso 0 dist 9.44788 5.63005 12.1168 10.5268 19.2707 8.73993 numMergedOcc 0
28 mol 133 unq 0 iso 0 dist 6.85651 9.3894 8.00493 4.84607 8.84018 6.5107 numMergedOcc 0
29 mol 133 unq 1 iso 0 dist 6.85651 9.3894 8.00493 13.0836 15.1254 9.52634 numMergedOcc 0
30 mol 133 unq 2 iso 0 dist 6.23615 9.50322 14.5344 5.37072 11.5405 7.11802 numMergedOcc 0
31 mol 133 unq 3 iso 0 dist 6.23615 5.82404 7.96098 10.2385 10.4171 6.29155 numMergedOcc 0
32 mol 133 unq 4 iso 0 dist 6.23615 5.82404 7.96098 4.64588 6.11955 6.80239 numMergedOcc 0
33 mol 133 unq 5 iso 0 dist 6.23615 5.82404 7.96098 5.37072 11.5405 8.00618 numMergedOcc 0
34 mol 133 unq 6 iso 0 dist 8.63817 5.86531 6.73114 6.26797 12.7635 7.11802 numMergedOcc 0
35 mol 133 unq 7 iso 0 dist 8.63817 5.86531 6.73114 9.73435 10.4418 8.00618 numMergedOcc 0
36 mol 155 unq 0 iso 0 dist 6.53806 6.7973 6.68061 5.01118 9.70079 6.23493 numMergedOcc 0
37 mol 155 unq 1 iso 0 dist 8.47335 6.7973 5.27475 5.01118 10.5286 6.23493 numMergedOcc 0
38 mol 180 unq 0 iso 0 dist 5.43774 9.88732 9.76368 6.54937 8.44989 9.62337 numMergedOcc 0
39 mol 180 unq 1 iso 0 dist 8.31061 5.77949 9.76368 6.91082 8.44989 9.62337 numMergedOcc 0
40 mol 227 unq 0 iso 0 dist 6.14732 9.07872 13.552 9.9474 14.5974 7.09863 numMergedOcc 0
41 mol 234 unq 0 iso 0 dist 9.36753 7.86368 6.16697 12.0816 5.89084 9.45496 numMergedOcc 0
42 mol 234 unq 1 iso 0 dist 9.36753 7.86368 6.16697 6.94762 8.47009 6.7625 numMergedOcc 0
43 mol 234 unq 2 iso 0 dist 6.56262 7.50424 4.93539 6.88707 10.9041 8.41436 numMergedOcc 0
44 mol 234 unq 3 iso 0 dist 6.56262 7.50424 4.93539 8.96936 11.598 8.92474 numMergedOcc 0
45 mol 235 unq 0 iso 0 dist 6.44932 7.08539 5.47633 7.38431 9.94654 5.4638 numMergedOcc 0
46 mol 236 unq 0 iso 0 dist 8.01164 9.89665 13.4013 4.38595 8.96717 6.84306 numMergedOcc 0
47 mol 236 unq 1 iso 0 dist 8.01164 9.89665 13.4013 11.247 15.5388 7.68742 numMergedOcc 0
48 mol 236 unq 2 iso 0 dist 8.01164 9.05929 10.6351 4.32403 10.4926 8.04248 numMergedOcc 0
49 mol 236 unq 3 iso 0 dist 8.01164 9.05929 10.6351 4.38595 8.96717 8.35971 numMergedOcc 0
50 mol 238 unq 0 iso 0 dist 9.46728 8.59074 16.5687 9.18011 16.0821 5.72887 numMergedOcc 0
51 mol 238 unq 1 iso 0 dist 9.91921 6.2365 6.62361 4.7157 9.31417 5.72887 numMergedOcc 0
52 mol 238 unq 2 iso 0 dist 8.20243 6.2365 5.96552 4.7157 5.56719 5.72887 numMergedOcc 0
53 mol 241 unq 0 iso 0 dist 8.15897 9.18476 4.86437 9.87799 9.72526 7.4631 numMergedOcc 0
54 mol 249 unq 0 iso 0 dist 7.279 6.37672 9.82483 9.07501 15.3404 7.57994 numMergedOcc 0
55 mol 249 unq 1 iso 0 dist 7.279 6.37672 9.82483 4.24014 11.128 6.18582 numMergedOcc 0
56 mol 249 unq 2 iso 0 dist 8.43448 8.94023 9.82483 9.53929 15.3404 7.57994 numMergedOcc 0
57 mol 249 unq 3 iso 0 dist 8.43448 8.94023 9.82483 5.36989 11.128 6.18582 numMergedOcc 0
58 mol 256 unq 0 iso 0 dist 9.37687 7.67598 9.07441 8.99993 14.2736 8.29103 numMergedOcc 0
59 mol 258 unq 0 iso 0 dist 9.4886 5.73834 8.31011 6.48867 12.9664 6.60405 numMergedOcc 0
60 mol 258 unq 1 iso 0 dist 9.4886 5.73834 8.31011 7.52881 14.2477 6.42289 numMergedOcc 0
61 mol 259 unq 0 iso 0 dist 5.45793 5.90645 6.59107 4.62072 9.74679 8.53687 numMergedOcc 0
62 mol 259 unq 1 iso 0 dist 5.45793 5.90645 6.59107 10.4985 10.8647 8.13497 numMergedOcc 0
63 mol 259 unq 2 iso 0 dist 5.98006 8.06771 5.71237 6.64729 6.77279 8.13497 numMergedOcc 0
64 mol 259 unq 3 iso 0 dist 5.98006 8.06771 5.71237 9.79538 9.58006 7.88519 numMergedOcc 0
65 mol 259 unq 4 iso 0 dist 7.97113 9.12507 13.3027 5.59901 10.0766 5.30224 numMergedOcc 0
66 mol 259 unq 5 iso 0 dist 5.22111 9.12507 12.3218 5.59901 9.52383 5.30224 numMergedOcc 0
67 mol 279 unq 0 iso 0 dist 9.71653 7.74162 6.03718 9.5773 14.3672 9.70696 numMergedOcc 0
