0 mol 11 unq 0 iso 0 dist 6.40513 4.54105 5.96346 12.8569 8.68293 13.5125 numMergedOcc 0
1 mol 11 unq 1 iso 0 dist 6.40513 4.54105 5.96346 5.83448 6.84216 6.76736 numMergedOcc 0
2 mol 11 unq 2 iso 0 dist 6.97875 6.15351 4.30695 11.7637 8.01262 6.03873 numMergedOcc 0
3 mol 11 unq 3 iso 0 dist 6.97875 6.15351 4.30695 5.63105 6.58046 8.84131 numMergedOcc 0
4 mol 11 unq 4 iso 0 dist 6.97875 4.69415 6.35398 11.7637 8.01262 12.9584 numMergedOcc 0
5 mol 11 unq 5 iso 0 dist 6.97875 4.69415 6.35398 5.63105 6.58046 6.51674 numMergedOcc 0
6 mol 17 unq 0 iso 0 dist 6.53817 10.8117 9.78331 7.83348 8.70792 6.43075 numMergedOcc 0
7 mol 24 unq 0 iso 0 dist 6.85331 10.7574 7.33768 7.12984 7.49157 7.02381 numMergedOcc 0
8 mol 24 unq 1 iso 0 dist 6.85331 10.7574 7.33768 5.31288 7.73794 7.18485 numMergedOcc 0
9 mol 24 unq 2 iso 0 dist 6.85331 15.2995 9.01567 7.12984 7.49157 13.4969 numMergedOcc 0
10 mol 24 unq 3 iso 0 dist 6.85331 15.2995 9.01567 5.31288 7.73794 13.9252 numMergedOcc 0
11 mol 24 unq 4 iso 0 dist 6.85331 12.8157 7.29868 7.12984 7.49157 14.1137 numMergedOcc 0
12 mol 24 unq 5 iso 0 dist 6.85331 12.8157 7.29868 5.31288 7.73794 13.4584 numMergedOcc 0
13 mol 24 unq 6 iso 0 dist 6.35095 8.7316 8.70827 6.85946 8.23075 12.2271 numMergedOcc 0
14 mol 24 unq 7 iso 0 dist 6.35095 8.7316 8.70827 6.85662 4.7841 12.6431 numMergedOcc 0
15 mol 24 unq 8 iso 0 dist 6.35095 10.9987 6.73939 6.85946 8.23075 12.2839 numMergedOcc 0
16 mol 24 unq 9 iso 0 dist 6.35095 10.9987 6.73939 6.85662 4.7841 6.22954 numMergedOcc 0
17 mol 36 unq 0 iso 0 dist 6.29647 7.73079 8.07928 4.28628 5.79779 3.94298 numMergedOcc 0
18 mol 75 unq 0 iso 0 dist 7.16583 6.05353 9.81166 4.79348 9.16597 7.98253 numMergedOcc 0
19 mol 75 unq 1 iso 0 dist 7.118 9.08979 9.81166 4.79489 9.16597 7.98253 numMergedOcc 0
20 mol 102 unq 0 iso 0 dist 9.0361 13.32 8.31932 6.04036 5.54256 7.28191 numMergedOcc 0
21 mol 143 unq 0 iso 0 dist 7.5984 11.4055 7.78652 5.08025 8.99891 14.3396 numMergedOcc 0
22 mol 143 unq 1 iso 0 dist 7.5984 9.54731 8.91301 5.08025 8.99891 12.476 numMergedOcc 0
23 mol 163 unq 0 iso 0 dist 6.56115 10.8796 9.07943 6.99664 9.90947 9.82832 numMergedOcc 0
24 mol 163 unq 1 iso 0 dist 6.56115 10.8796 9.07943 4.09125 8.16252 9.10855 numMergedOcc 0
25 mol 174 unq 0 iso 0 dist 4.93781 10.4483 8.87569 6.16051 5.61673 6.65209 numMergedOcc 0
26 mol 174 unq 1 iso 0 dist 4.93781 12.0746 9.87122 6.16051 5.61673 9.87207 numMergedOcc 0
27 mol 174 unq 2 iso 0 dist 9.32818 13.3134 8.87569 6.8465 5.61673 6.65209 numMergedOcc 0
28 mol 174 unq 3 iso 0 dist 9.32818 16.4521 9.87122 6.8465 5.61673 9.87207 numMergedOcc 0
29 mol 174 unq 4 iso 0 dist 7.03029 6.97204 8.87569 4.40064 5.61673 6.65209 numMergedOcc 0
30 mol 174 unq 5 iso 0 dist 7.03029 9.84841 9.87122 4.40064 5.61673 9.87207 numMergedOcc 0
31 mol 204 unq 0 iso 0 dist 6.27396 7.76353 9.1458 7.73767 7.16758 4.79061 numMergedOcc 0
32 mol 206 unq 0 iso 0 dist 7.10166 14.2366 7.75885 8.44261 6.23183 9.36584 numMergedOcc 0
33 mol 206 unq 1 iso 0 dist 8.73396 11.3915 6.16414 6.30581 4.51255 9.36584 numMergedOcc 0
34 mol 206 unq 2 iso 0 dist 8.73396 7.26571 7.33701 6.30581 4.51255 8.97305 numMergedOcc 0
35 mol 206 unq 3 iso 0 dist 8.73396 6.33838 8.0871 6.30581 4.51255 8.90838 numMergedOcc 0
36 mol 206 unq 4 iso 0 dist 9.66896 5.91675 7.75885 13.8891 6.23183 9.36584 numMergedOcc 0
37 mol 210 unq 0 iso 0 dist 6.53736 11.3924 7.10826 10.061 6.85824 4.73037 numMergedOcc 0
38 mol 210 unq 1 iso 0 dist 8.18851 8.48795 7.10826 5.11839 6.85824 4.73037 numMergedOcc 0
39 mol 218 unq 0 iso 0 dist 9.88212 8.22785 6.1951 10.5477 6.1896 5.34495 numMergedOcc 0
40 mol 218 unq 1 iso 0 dist 9.88212 8.22785 6.1951 11.445 6.09255 3.83106 numMergedOcc 0
41 mol 219 unq 0 iso 0 dist 9.68515 4.06981 7.59632 9.54571 9.64116 8.27505 numMergedOcc 0
42 mol 219 unq 1 iso 0 dist 8.09769 6.66401 7.59632 12.3063 9.64116 8.27505 numMergedOcc 0
43 mol 219 unq 2 iso 0 dist 6.75833 9.30251 7.59632 5.14665 9.64116 8.27505 numMergedOcc 0
44 mol 222 unq 0 iso 0 dist 8.69148 8.56453 7.67576 7.53235 5.1609 3.98604 numMergedOcc 0
45 mol 222 unq 1 iso 0 dist 8.69148 13.6076 9.82371 7.53235 5.1609 7.99695 numMergedOcc 0
46 mol 231 unq 0 iso 0 dist 9.98232 11.1156 7.79066 13.2586 9.9868 10.5016 numMergedOcc 0
47 mol 231 unq 1 iso 0 dist 9.98232 11.1156 7.79066 12.8691 7.3268 4.02097 numMergedOcc 0
48 mol 232 unq 0 iso 0 dist 7.47238 15.5413 9.05071 6.89215 8.25985 12.159 numMergedOcc 0
49 mol 232 unq 1 iso 0 dist 7.47238 15.5413 9.05071 11.652 9.27788 8.36223 numMergedOcc 0
50 mol 238 unq 0 iso 0 dist 8.89538 16.6173 8.67864 7.54878 6.46771 13.4894 numMergedOcc 0
51 mol 240 unq 0 iso 0 dist 6.01168 6.08726 6.68687 8.41875 5.77749 7.06594 numMergedOcc 0
52 mol 240 unq 1 iso 0 dist 6.83069 10.24 6.68687 6.72226 5.77749 7.06594 numMergedOcc 0
53 mol 287 unq 0 iso 0 dist 7.30618 8.32567 8.91712 6.33641 9.18744 3.96271 numMergedOcc 0
54 mol 287 unq 1 iso 0 dist 9.22306 7.04567 8.91712 4.57745 9.18744 3.96271 numMergedOcc 0
55 mol 288 unq 0 iso 0 dist 7.30618 8.32567 8.91712 6.33641 9.18744 3.96271 numMergedOcc 0
56 mol 288 unq 1 iso 0 dist 9.22306 7.04567 8.91712 4.57745 9.18744 3.96271 numMergedOcc 0
57 mol 289 unq 0 iso 0 dist 7.30618 8.32567 8.91712 6.33641 9.18744 3.96271 numMergedOcc 0
58 mol 289 unq 1 iso 0 dist 9.22306 7.04567 8.91712 4.57745 9.18744 3.96271 numMergedOcc 0
