0 mol 11 unq 0 iso 0 dist 4.30695 6.35398 7.0964 8.01262 6.03873 12.9584 numMergedOcc 0
1 mol 11 unq 0 iso 1 dist 6.35398 4.30695 7.0964 8.01262 12.9584 6.03873 numMergedOcc 0
2 mol 11 unq 1 iso 0 dist 4.30695 6.35398 7.0964 6.58046 8.84131 6.51674 numMergedOcc 0
3 mol 11 unq 1 iso 1 dist 6.35398 4.30695 7.0964 6.58046 6.51674 8.84131 numMergedOcc 0
4 mol 24 unq 0 iso 0 dist 7.33768 9.01567 7.88693 7.49157 7.02381 13.4969 numMergedOcc 0
5 mol 24 unq 0 iso 1 dist 9.01567 7.33768 7.88693 7.49157 13.4969 7.02381 numMergedOcc 0
6 mol 24 unq 1 iso 0 dist 7.33768 9.01567 7.88693 7.73794 7.18485 13.9252 numMergedOcc 0
7 mol 24 unq 1 iso 1 dist 9.01567 7.33768 7.88693 7.73794 13.9252 7.18485 numMergedOcc 0
8 mol 24 unq 2 iso 0 dist 7.33768 7.29868 10.2653 7.49157 7.02381 14.1137 numMergedOcc 0
9 mol 24 unq 2 iso 1 dist 7.29868 7.33768 10.2653 7.49157 14.1137 7.02381 numMergedOcc 0
10 mol 24 unq 3 iso 0 dist 7.33768 7.29868 10.2653 7.73794 7.18485 13.4584 numMergedOcc 0
11 mol 24 unq 3 iso 1 dist 7.29868 7.33768 10.2653 7.73794 13.4584 7.18485 numMergedOcc 0
12 mol 24 unq 2 iso 0 dist 9.01567 7.29868 6.16544 7.49157 13.4969 14.1137 numMergedOcc 0
13 mol 24 unq 2 iso 1 dist 7.29868 9.01567 6.16544 7.49157 14.1137 13.4969 numMergedOcc 0
14 mol 24 unq 3 iso 0 dist 9.01567 7.29868 6.16544 7.73794 13.9252 13.4584 numMergedOcc 0
15 mol 24 unq 3 iso 1 dist 7.29868 9.01567 6.16544 7.73794 13.4584 13.9252 numMergedOcc 0
16 mol 24 unq 4 iso 0 dist 8.70827 6.73939 15.0804 8.23075 12.2271 12.2839 numMergedOcc 0
17 mol 24 unq 4 iso 1 dist 6.73939 8.70827 15.0804 8.23075 12.2839 12.2271 numMergedOcc 0
18 mol 24 unq 5 iso 0 dist 8.70827 6.73939 15.0804 4.7841 12.6431 6.22954 numMergedOcc 0
19 mol 24 unq 5 iso 1 dist 6.73939 8.70827 15.0804 4.7841 6.22954 12.6431 numMergedOcc 0
20 mol 92 unq 0 iso 0 dist 8.18107 5.9465 9.38827 5.42067 4.30488 5.09449 numMergedOcc 0
21 mol 92 unq 0 iso 1 dist 5.9465 8.18107 9.38827 5.42067 5.09449 4.30488 numMergedOcc 0
22 mol 92 unq 1 iso 0 dist 9.8859 6.97962 9.38827 7.36435 4.30488 5.09449 numMergedOcc 0
23 mol 92 unq 1 iso 1 dist 6.97962 9.8859 9.38827 7.36435 5.09449 4.30488 numMergedOcc 0
24 mol 92 unq 2 iso 0 dist 8.91313 8.16392 11.5449 8.85601 4.17255 9.96839 numMergedOcc 0
25 mol 92 unq 2 iso 1 dist 8.16392 8.91313 11.5449 8.85601 9.96839 4.17255 numMergedOcc 0
26 mol 109 unq 0 iso 0 dist 7.02927 6.60933 10.6137 8.11702 11.1265 6.57741 numMergedOcc 0
27 mol 109 unq 0 iso 1 dist 6.60933 7.02927 10.6137 8.11702 6.57741 11.1265 numMergedOcc 0
28 mol 109 unq 1 iso 0 dist 7.02927 6.60933 10.6137 7.44558 9.63255 4.0719 numMergedOcc 0
29 mol 109 unq 1 iso 1 dist 6.60933 7.02927 10.6137 7.44558 4.0719 9.63255 numMergedOcc 0
30 mol 113 unq 0 iso 0 dist 8.8822 9.66219 4.09459 7.02367 5.40648 3.52111 numMergedOcc 0
31 mol 113 unq 0 iso 1 dist 9.66219 8.8822 4.09459 7.02367 3.52111 5.40648 numMergedOcc 0
32 mol 113 unq 1 iso 0 dist 8.8822 9.66219 4.09459 9.30832 15.5674 13.7232 numMergedOcc 0
33 mol 113 unq 1 iso 1 dist 9.66219 8.8822 4.09459 9.30832 13.7232 15.5674 numMergedOcc 0
34 mol 117 unq 0 iso 0 dist 7.70232 7.4671 4.04941 7.78789 6.05048 4.42665 numMergedOcc 0
35 mol 117 unq 0 iso 1 dist 7.4671 7.70232 4.04941 7.78789 4.42665 6.05048 numMergedOcc 0
36 mol 117 unq 1 iso 0 dist 7.70232 7.4671 4.04941 7.42146 10.5934 11.9806 numMergedOcc 0
37 mol 117 unq 1 iso 1 dist 7.4671 7.70232 4.04941 7.42146 11.9806 10.5934 numMergedOcc 0
38 mol 122 unq 0 iso 0 dist 8.88537 9.23819 5.03547 4.42563 8.90201 11.3935 numMergedOcc 0
39 mol 122 unq 0 iso 1 dist 9.23819 8.88537 5.03547 4.42563 11.3935 8.90201 numMergedOcc 0
40 mol 131 unq 0 iso 0 dist 8.70296 9.25558 14.5627 8.80895 5.92118 10.2176 numMergedOcc 0
41 mol 131 unq 0 iso 1 dist 9.25558 8.70296 14.5627 8.80895 10.2176 5.92118 numMergedOcc 0
42 mol 143 unq 0 iso 0 dist 7.78652 8.91301 4.30566 8.99891 14.3396 12.476 numMergedOcc 0
43 mol 143 unq 0 iso 1 dist 8.91301 7.78652 4.30566 8.99891 12.476 14.3396 numMergedOcc 0
44 mol 174 unq 0 iso 0 dist 8.87569 9.87122 4.17687 5.61673 6.65209 9.87207 numMergedOcc 0
45 mol 174 unq 0 iso 1 dist 9.87122 8.87569 4.17687 5.61673 9.87207 6.65209 numMergedOcc 0
46 mol 195 unq 0 iso 0 dist 7.36683 6.95086 9.90317 6.59544 9.10355 9.70528 numMergedOcc 0
47 mol 195 unq 0 iso 1 dist 6.95086 7.36683 9.90317 6.59544 9.70528 9.10355 numMergedOcc 0
48 mol 206 unq 0 iso 0 dist 6.16414 7.33701 6.46458 4.51255 9.36584 8.97305 numMergedOcc 0
49 mol 206 unq 0 iso 1 dist 7.33701 6.16414 6.46458 4.51255 8.97305 9.36584 numMergedOcc 0
50 mol 206 unq 1 iso 0 dist 6.16414 8.0871 9.9892 4.51255 9.36584 8.90838 numMergedOcc 0
51 mol 206 unq 1 iso 1 dist 8.0871 6.16414 9.9892 4.51255 8.90838 9.36584 numMergedOcc 0
52 mol 206 unq 1 iso 0 dist 7.33701 8.0871 4.38701 4.51255 8.97305 8.90838 numMergedOcc 0
53 mol 206 unq 1 iso 1 dist 8.0871 7.33701 4.38701 4.51255 8.90838 8.97305 numMergedOcc 0
54 mol 213 unq 0 iso 0 dist 7.37798 7.73322 13.2902 8.82761 15.5804 6.78109 numMergedOcc 0
55 mol 213 unq 0 iso 1 dist 7.73322 7.37798 13.2902 8.82761 6.78109 15.5804 numMergedOcc 0
56 mol 222 unq 0 iso 0 dist 7.67576 9.82371 11.3283 5.1609 3.98604 7.99695 numMergedOcc 0
57 mol 222 unq 0 iso 1 dist 9.82371 7.67576 11.3283 5.1609 7.99695 3.98604 numMergedOcc 0
58 mol 237 unq 0 iso 0 dist 7.41478 9.20822 8.65228 9.7255 4.50383 12.5736 numMergedOcc 0
59 mol 237 unq 0 iso 1 dist 9.20822 7.41478 8.65228 9.7255 12.5736 4.50383 numMergedOcc 0
