0 mol 13 unq 0 iso 0 dist 8.66515 6.6309 9.06342 10.3134 8.27119 11.362 numMergedOcc 0
1 mol 13 unq 1 iso 0 dist 9.48239 5.69416 9.06342 10.4917 8.27119 11.362 numMergedOcc 0
2 mol 32 unq 0 iso 0 dist 7.52145 9.74984 5.78231 12.2822 8.78511 9.26879 numMergedOcc 0
3 mol 32 unq 1 iso 0 dist 7.52145 7.27475 9.41538 12.2822 8.78511 7.64485 numMergedOcc 0
4 mol 32 unq 2 iso 0 dist 8.35776 11.3409 5.78231 4.64437 8.78511 9.26879 numMergedOcc 0
5 mol 32 unq 3 iso 0 dist 8.35776 8.8719 9.41538 4.64437 8.78511 7.64485 numMergedOcc 0
6 mol 34 unq 0 iso 0 dist 7.32472 8.69348 6.35997 4.33564 6.52283 9.9219 numMergedOcc 0
7 mol 46 unq 0 iso 0 dist 7.12713 8.08636 5.81662 6.51519 5.4713 8.70524 numMergedOcc 0
8 mol 62 unq 0 iso 0 dist 6.0827 8.53924 7.49792 5.06459 8.93807 8.03921 numMergedOcc 0
9 mol 62 unq 1 iso 0 dist 6.0827 4.38006 6.58981 5.06459 8.93807 5.81231 numMergedOcc 0
10 mol 62 unq 2 iso 0 dist 5.23167 6.37499 6.51901 7.42892 7.16844 5.90259 numMergedOcc 0
11 mol 62 unq 3 iso 0 dist 5.23167 11.7209 9.1926 7.42892 7.16844 6.38075 numMergedOcc 0
12 mol 62 unq 4 iso 0 dist 7.47607 9.79569 6.51901 7.36253 7.16844 5.90259 numMergedOcc 0
13 mol 62 unq 5 iso 0 dist 7.47607 13.1832 9.1926 7.36253 7.16844 6.38075 numMergedOcc 0
14 mol 76 unq 0 iso 0 dist 5.61831 4.63832 8.63792 6.2597 9.57759 9.51274 numMergedOcc 0
15 mol 85 unq 0 iso 0 dist 7.61514 5.40682 6.56288 10.6609 4.29937 8.175 numMergedOcc 0
16 mol 85 unq 1 iso 0 dist 7.61514 5.40682 6.56288 11.2518 3.65628 9.3414 numMergedOcc 0
17 mol 85 unq 2 iso 0 dist 7.61514 5.40682 6.56288 13.5746 9.77774 14.8394 numMergedOcc 0
18 mol 85 unq 3 iso 0 dist 8.21116 5.40682 5.97559 10.6609 5.37869 8.175 numMergedOcc 0
19 mol 85 unq 4 iso 0 dist 8.21116 5.40682 5.97559 11.2518 4.05415 9.3414 numMergedOcc 0
20 mol 85 unq 5 iso 0 dist 8.21116 5.40682 5.97559 13.5746 9.97944 14.8394 numMergedOcc 0
21 mol 113 unq 0 iso 0 dist 6.38269 13.5639 9.44 7.6316 8.67025 15.8274 numMergedOcc 0
22 mol 113 unq 1 iso 0 dist 7.11196 13.5639 8.47634 12.7927 9.60127 3.66763 numMergedOcc 0
23 mol 120 unq 0 iso 0 dist 7.64841 6.76794 8.44206 7.24685 9.98772 9.64212 numMergedOcc 0
24 mol 120 unq 1 iso 0 dist 7.64841 5.49859 9.78884 7.24685 9.98772 10.8696 numMergedOcc 0
25 mol 186 unq 0 iso 0 dist 8.89804 7.35256 8.78251 14.2573 9.34653 12.6481 numMergedOcc 0
26 mol 194 unq 0 iso 0 dist 9.3032 10.4172 4.55528 10.739 4.45769 8.22995 numMergedOcc 0
27 mol 194 unq 1 iso 0 dist 9.3032 10.4172 4.55528 16.8793 8.99961 12.3429 numMergedOcc 0
28 mol 194 unq 2 iso 0 dist 9.3032 13.6082 6.88386 10.739 4.45769 7.39897 numMergedOcc 0
29 mol 194 unq 3 iso 0 dist 9.3032 13.6082 6.88386 16.8793 8.99961 10.3177 numMergedOcc 0
30 mol 194 unq 4 iso 0 dist 8.10451 10.3249 4.55528 5.22745 4.45769 8.22995 numMergedOcc 0
31 mol 194 unq 5 iso 0 dist 8.10451 10.3249 4.55528 4.77336 8.99961 12.3429 numMergedOcc 0
32 mol 194 unq 6 iso 0 dist 8.10451 6.55814 6.88386 5.22745 4.45769 7.39897 numMergedOcc 0
33 mol 194 unq 7 iso 0 dist 8.10451 6.55814 6.88386 4.77336 8.99961 10.3177 numMergedOcc 0
34 mol 194 unq 8 iso 0 dist 6.6747 10.3249 4.42095 5.22745 5.89939 8.22995 numMergedOcc 0
35 mol 194 unq 9 iso 0 dist 6.6747 10.3249 4.42095 4.77336 8.18853 12.3429 numMergedOcc 0
36 mol 194 unq 10 iso 0 dist 6.6747 6.55814 4.63898 5.22745 5.89939 7.39897 numMergedOcc 0
37 mol 194 unq 11 iso 0 dist 6.6747 6.55814 4.63898 4.77336 8.18853 10.3177 numMergedOcc 0
38 mol 194 unq 12 iso 0 dist 6.6747 14.9692 9.53641 5.22745 5.89939 15.1388 numMergedOcc 0
39 mol 194 unq 13 iso 0 dist 6.6747 14.9692 9.53641 4.77336 8.18853 14.9856 numMergedOcc 0
40 mol 194 unq 14 iso 0 dist 6.28412 6.65382 4.42095 12.1687 5.89939 8.22995 numMergedOcc 0
41 mol 194 unq 15 iso 0 dist 6.28412 6.65382 4.42095 13.0722 8.18853 12.3429 numMergedOcc 0
42 mol 194 unq 16 iso 0 dist 6.28412 8.25387 4.63898 12.1687 5.89939 7.39897 numMergedOcc 0
43 mol 194 unq 17 iso 0 dist 6.28412 8.25387 4.63898 13.0722 8.18853 10.3177 numMergedOcc 0
44 mol 194 unq 18 iso 0 dist 6.28412 4.09071 9.53641 12.1687 5.89939 15.1388 numMergedOcc 0
45 mol 194 unq 19 iso 0 dist 6.28412 4.09071 9.53641 13.0722 8.18853 14.9856 numMergedOcc 0
46 mol 239 unq 0 iso 0 dist 9.76929 7.66679 7.45508 8.16343 7.97504 10.7383 numMergedOcc 0
47 mol 252 unq 0 iso 0 dist 4.15692 4.87406 5.2116 8.3996 9.81261 12.3685 numMergedOcc 0
48 mol 257 unq 0 iso 0 dist 8.50916 14.1389 9.79593 10.4413 7.80473 3.84196 numMergedOcc 0
49 mol 287 unq 0 iso 0 dist 7.96707 13.5162 9.03468 14.1553 8.06767 6.05528 numMergedOcc 0
50 mol 287 unq 1 iso 0 dist 7.96707 13.5162 9.03468 4.60276 9.91087 13.0121 numMergedOcc 0
51 mol 287 unq 2 iso 0 dist 7.96707 5.22713 6.05363 14.1553 8.06767 11.2805 numMergedOcc 0
52 mol 287 unq 3 iso 0 dist 7.96707 5.22713 6.05363 4.60276 9.91087 6.24038 numMergedOcc 0
53 mol 288 unq 0 iso 0 dist 7.96707 13.5162 9.03468 14.1553 8.06767 6.05528 numMergedOcc 0
54 mol 288 unq 1 iso 0 dist 7.96707 13.5162 9.03468 4.60276 9.91087 13.0121 numMergedOcc 0
55 mol 288 unq 2 iso 0 dist 7.96707 5.22713 6.05363 14.1553 8.06767 11.2805 numMergedOcc 0
56 mol 288 unq 3 iso 0 dist 7.96707 5.22713 6.05363 4.60276 9.91087 6.24038 numMergedOcc 0
57 mol 289 unq 0 iso 0 dist 7.96707 13.5162 9.03468 14.1553 8.06767 6.05528 numMergedOcc 0
58 mol 289 unq 1 iso 0 dist 7.96707 13.5162 9.03468 4.60276 9.91087 13.0121 numMergedOcc 0
59 mol 289 unq 2 iso 0 dist 7.96707 5.22713 6.05363 14.1553 8.06767 11.2805 numMergedOcc 0
60 mol 289 unq 3 iso 0 dist 7.96707 5.22713 6.05363 4.60276 9.91087 6.24038 numMergedOcc 0
