0 mol 73 unq 0 iso 0 dist 5.82056 4.30874 5.5087 11.6749 11.2069 8.70481 9.09115 5.30471 6.08682 10.6713 numMergedOcc 0
1 mol 73 unq 1 iso 0 dist 9.09115 4.30874 6.08682 11.6749 10.6713 8.70481 5.82056 5.30471 5.5087 11.2069 numMergedOcc 0
2 mol 95 unq 0 iso 0 dist 8.23073 7.95165 8.27883 10.1171 4.99174 9.03572 10.3644 6.27231 5.75428 4.46005 numMergedOcc 0
3 mol 95 unq 1 iso 0 dist 8.23073 7.95165 8.27883 10.1171 4.99174 9.03572 11.6518 11.734 8.57395 8.28518 numMergedOcc 0
4 mol 95 unq 2 iso 0 dist 8.23073 7.95165 8.27883 10.1171 4.99174 9.03572 15.7013 17.4304 9.85409 15.917 numMergedOcc 0
5 mol 95 unq 3 iso 0 dist 8.23073 7.95165 8.27883 14.2142 8.67311 8.83255 10.3644 6.27231 5.75428 3.94293 numMergedOcc 0
6 mol 95 unq 4 iso 0 dist 8.23073 7.95165 8.27883 14.2142 8.67311 8.83255 11.6518 11.734 8.57395 9.22202 numMergedOcc 0
7 mol 95 unq 5 iso 0 dist 8.23073 7.95165 8.27883 14.2142 8.67311 8.83255 15.7013 17.4304 9.85409 13.7484 numMergedOcc 0
8 mol 95 unq 6 iso 0 dist 8.23073 7.95165 8.27883 14.7115 15.6249 8.03644 10.3644 6.27231 5.75428 12.4896 numMergedOcc 0
9 mol 95 unq 7 iso 0 dist 8.23073 7.95165 8.27883 14.7115 15.6249 8.03644 11.6518 11.734 8.57395 14.2178 numMergedOcc 0
10 mol 95 unq 8 iso 0 dist 8.23073 7.95165 8.27883 14.7115 15.6249 8.03644 15.7013 17.4304 9.85409 8.78079 numMergedOcc 0
11 mol 98 unq 0 iso 0 dist 6.84952 5.82029 7.02507 10.8197 7.03983 6.48948 11.0037 9.6331 5.92242 3.9764 numMergedOcc 0
12 mol 129 unq 0 iso 0 dist 9.31543 4.80675 6.69691 10.1938 8.26896 8.54584 8.85652 5.94312 5.51197 12.1739 numMergedOcc 0
13 mol 129 unq 1 iso 0 dist 9.31543 4.80675 6.69691 10.1938 8.26896 8.54584 12.172 5.35495 8.86944 5.63254 numMergedOcc 0
14 mol 129 unq 2 iso 0 dist 8.85652 4.80675 5.51197 10.1938 12.1739 8.54584 9.31543 5.94312 6.69691 8.26896 numMergedOcc 0
15 mol 129 unq 3 iso 0 dist 8.85652 4.80675 5.51197 10.1938 12.1739 8.54584 12.172 9.74141 8.86944 5.63254 numMergedOcc 0
16 mol 143 unq 0 iso 0 dist 9.70788 10.1013 7.36975 12.8179 13.1926 5.99315 15.1527 10.1474 5.40637 7.39837 numMergedOcc 0
17 mol 152 unq 0 iso 0 dist 9.17216 6.62991 6.59889 11.2249 5.39112 8.56324 9.44172 3.55572 8.9192 4.84714 numMergedOcc 0
18 mol 152 unq 1 iso 0 dist 9.40483 7.17016 6.59889 13.9298 5.39112 8.56324 12.3659 3.55572 8.9192 4.84714 numMergedOcc 0
19 mol 152 unq 2 iso 0 dist 9.44172 6.62991 8.9192 11.2249 4.84714 8.56324 9.17216 3.55572 6.59889 5.39112 numMergedOcc 0
20 mol 181 unq 0 iso 0 dist 8.39573 12.5935 9.01624 13.3844 5.71898 7.81386 17.7213 11.196 6.64173 6.8757 numMergedOcc 0
21 mol 181 unq 1 iso 0 dist 8.39573 12.5935 9.01624 13.3844 5.71898 7.81386 11.1521 3.55187 9.55105 5.83796 numMergedOcc 0
22 mol 181 unq 2 iso 0 dist 8.39573 12.5935 9.01624 9.63295 5.93724 7.63312 17.7213 11.196 6.64173 10.6474 numMergedOcc 0
23 mol 181 unq 3 iso 0 dist 8.39573 12.5935 9.01624 9.63295 5.93724 7.63312 11.1521 3.55187 9.55105 5.12833 numMergedOcc 0
24 mol 192 unq 0 iso 0 dist 9.63224 6.34098 9.78634 11.1541 9.53265 5.59424 6.98794 5.9655 5.64942 6.35474 numMergedOcc 0
25 mol 192 unq 1 iso 0 dist 9.63224 6.34098 9.78634 11.1541 9.53265 5.59424 10.4238 7.70298 7.43054 5.25965 numMergedOcc 0
26 mol 192 unq 2 iso 0 dist 6.98794 6.34098 5.64942 11.1541 6.35474 5.59424 9.63224 5.9655 9.78634 9.53265 numMergedOcc 0
27 mol 192 unq 3 iso 0 dist 6.98794 6.34098 5.64942 11.1541 6.35474 5.59424 10.4238 3.60331 7.43054 5.25965 numMergedOcc 0
28 mol 192 unq 4 iso 0 dist 6.98794 9.57246 6.97962 11.1541 6.35474 7.00794 10.4238 3.60331 6.79229 5.25965 numMergedOcc 0
29 mol 223 unq 0 iso 0 dist 7.27963 10.6103 6.42257 10.5187 4.04036 8.77153 18.9404 12.841 9.33543 13.1538 numMergedOcc 0
30 mol 223 unq 1 iso 0 dist 7.27963 10.6103 6.42257 16.5225 9.47076 8.6166 18.9404 12.841 9.33543 5.39728 numMergedOcc 0
31 mol 259 unq 0 iso 0 dist 8.40328 6.18571 5.85442 13.6279 10.067 7.46176 8.2518 3.51848 6.95511 11.6988 numMergedOcc 0
32 mol 259 unq 1 iso 0 dist 8.40328 12.3834 6.9899 14.9752 7.09907 5.30224 16.1651 8.0048 8.03219 4.04513 numMergedOcc 0
33 mol 259 unq 2 iso 0 dist 8.2518 6.18571 6.95511 13.6279 11.6988 7.46176 8.40328 3.51848 5.85442 10.067 numMergedOcc 0
34 mol 277 unq 0 iso 0 dist 9.91103 5.77904 8.9682 8.35794 17.6038 9.7748 13.222 16.9644 9.35539 11.4555 numMergedOcc 0
35 mol 277 unq 1 iso 0 dist 9.91103 5.77904 8.9682 8.35794 17.6038 9.7748 7.0603 3.39114 6.92711 14.772 numMergedOcc 0
36 mol 277 unq 2 iso 0 dist 7.0603 5.77904 6.92711 8.35794 14.772 9.7748 13.222 15.8851 9.35539 11.4555 numMergedOcc 0
37 mol 277 unq 3 iso 0 dist 7.0603 5.77904 6.92711 8.35794 14.772 9.7748 9.91103 3.39114 8.9682 17.6038 numMergedOcc 0
