0 mol 39 unq 0 iso 0 dist 8.19733 5.94068 7.99016 11.2159 8.55553 5.84083 numMergedOcc 0
1 mol 39 unq 1 iso 0 dist 8.19733 5.94068 7.99016 8.56189 5.00813 6.92307 numMergedOcc 0
2 mol 39 unq 2 iso 0 dist 8.19733 6.96883 6.41793 11.2159 8.55553 5.16873 numMergedOcc 0
3 mol 39 unq 3 iso 0 dist 8.19733 6.96883 6.41793 8.56189 5.00813 7.52517 numMergedOcc 0
4 mol 39 unq 4 iso 0 dist 8.19733 9.56481 6.50101 11.2159 8.55553 3.08793 numMergedOcc 0
5 mol 39 unq 5 iso 0 dist 8.19733 9.56481 6.50101 8.56189 5.00813 4.6056 numMergedOcc 0
6 mol 39 unq 6 iso 0 dist 8.57165 13.5954 7.99016 11.4688 8.55553 5.84083 numMergedOcc 0
7 mol 39 unq 7 iso 0 dist 8.57165 13.5954 7.99016 7.29013 5.00813 6.92307 numMergedOcc 0
8 mol 39 unq 8 iso 0 dist 8.57165 13.0639 6.41793 11.4688 8.55553 5.16873 numMergedOcc 0
9 mol 39 unq 9 iso 0 dist 8.57165 13.0639 6.41793 7.29013 5.00813 7.52517 numMergedOcc 0
10 mol 39 unq 10 iso 0 dist 8.57165 9.32558 6.50101 11.4688 8.55553 3.08793 numMergedOcc 0
11 mol 39 unq 11 iso 0 dist 8.57165 9.32558 6.50101 7.29013 5.00813 4.6056 numMergedOcc 0
12 mol 74 unq 0 iso 0 dist 8.2657 8.22956 7.94725 8.31102 8.42173 7.98596 numMergedOcc 0
13 mol 76 unq 0 iso 0 dist 8.69209 5.55865 9.86664 3.83015 6.97741 3.37578 numMergedOcc 0
14 mol 93 unq 0 iso 0 dist 7.85041 12.1673 7.8435 11.5028 6.46217 13.6138 numMergedOcc 0
15 mol 93 unq 1 iso 0 dist 7.85041 7.30779 5.99269 11.5028 6.46217 12.3588 numMergedOcc 0
16 mol 93 unq 2 iso 0 dist 7.85041 9.18194 5.71763 11.5028 6.46217 4.98621 numMergedOcc 0
17 mol 147 unq 0 iso 0 dist 5.1101 11.4653 9.43989 7.97454 7.19893 15.2813 numMergedOcc 0
18 mol 147 unq 1 iso 0 dist 5.1101 11.4653 9.43989 3.547 6.37938 14.3635 numMergedOcc 0
19 mol 147 unq 2 iso 0 dist 7.01133 7.68412 9.43989 13.3536 7.19893 15.2813 numMergedOcc 0
20 mol 147 unq 3 iso 0 dist 7.01133 7.68412 9.43989 9.88741 6.37938 14.3635 numMergedOcc 0
21 mol 158 unq 0 iso 0 dist 6.39981 9.88872 6.11331 5.30823 8.06621 11.6769 numMergedOcc 0
22 mol 182 unq 0 iso 0 dist 8.89822 6.81586 7.88014 15.2041 8.62437 10.0832 numMergedOcc 0
23 mol 182 unq 1 iso 0 dist 8.89822 6.81586 7.88014 9.61248 7.07405 5.19107 numMergedOcc 0
24 mol 188 unq 0 iso 0 dist 7.48284 6.39872 7.79115 4.61059 6.18257 3.42559 numMergedOcc 0
25 mol 198 unq 0 iso 0 dist 8.15936 4.12366 8.8864 8.56728 5.20846 7.0121 numMergedOcc 0
26 mol 198 unq 1 iso 0 dist 8.15936 8.27289 8.12201 8.56728 5.20846 3.4601 numMergedOcc 0
27 mol 198 unq 2 iso 0 dist 8.15936 7.09645 5.45162 8.56728 5.20846 4.35222 numMergedOcc 0
28 mol 198 unq 3 iso 0 dist 8.16598 5.7714 8.8864 6.76174 5.20846 7.0121 numMergedOcc 0
29 mol 198 unq 4 iso 0 dist 8.16598 5.50315 8.12201 6.76174 5.20846 3.4601 numMergedOcc 0
30 mol 198 unq 5 iso 0 dist 8.16598 8.18633 5.45162 6.76174 5.20846 4.35222 numMergedOcc 0
31 mol 210 unq 0 iso 0 dist 6.4829 15.1464 9.14831 3.82667 8.83523 16.3997 numMergedOcc 0
32 mol 214 unq 0 iso 0 dist 7.39624 6.2381 8.21997 3.92649 6.20118 3.14057 numMergedOcc 0
33 mol 234 unq 0 iso 0 dist 9.06084 10.72 8.52295 6.12476 6.58003 4.70248 numMergedOcc 0
34 mol 250 unq 0 iso 0 dist 8.70484 9.91231 7.22664 12.1963 7.5999 3.18526 numMergedOcc 0
35 mol 250 unq 1 iso 0 dist 8.70484 9.91231 7.22664 7.38134 9.50976 4.97183 numMergedOcc 0
36 mol 250 unq 2 iso 0 dist 8.70484 8.25599 7.15762 12.1963 7.5999 9.28743 numMergedOcc 0
37 mol 250 unq 3 iso 0 dist 8.70484 8.25599 7.15762 7.38134 9.50976 6.00379 numMergedOcc 0
38 mol 252 unq 0 iso 0 dist 5.2361 4.21466 8.19529 14.0295 9.76731 14.7399 numMergedOcc 0
39 mol 252 unq 1 iso 0 dist 5.2361 4.21466 8.19529 10.3309 8.38599 9.50623 numMergedOcc 0
40 mol 252 unq 2 iso 0 dist 5.2361 6.19861 6.45396 14.0295 9.76731 10.4834 numMergedOcc 0
41 mol 252 unq 3 iso 0 dist 5.2361 6.19861 6.45396 10.3309 8.38599 4.73966 numMergedOcc 0
42 mol 252 unq 4 iso 0 dist 5.57515 11.9287 8.19529 7.41325 9.76731 14.7399 numMergedOcc 0
43 mol 252 unq 5 iso 0 dist 5.57515 11.9287 8.19529 7.40276 8.38599 9.50623 numMergedOcc 0
44 mol 252 unq 6 iso 0 dist 5.57515 7.84988 6.45396 7.41325 9.76731 10.4834 numMergedOcc 0
45 mol 252 unq 7 iso 0 dist 5.57515 7.84988 6.45396 7.40276 8.38599 4.73966 numMergedOcc 0
46 mol 252 unq 8 iso 0 dist 8.28694 11.5083 8.19529 6.68865 9.76731 14.7399 numMergedOcc 0
47 mol 252 unq 9 iso 0 dist 8.28694 11.5083 8.19529 3.93498 8.38599 9.50623 numMergedOcc 0
48 mol 252 unq 10 iso 0 dist 8.28694 6.38319 6.45396 6.68865 9.76731 10.4834 numMergedOcc 0
49 mol 252 unq 11 iso 0 dist 8.28694 6.38319 6.45396 3.93498 8.38599 4.73966 numMergedOcc 0
50 mol 264 unq 0 iso 0 dist 9.42738 9.04569 7.14086 3.50016 8.78525 10.1726 numMergedOcc 0
51 mol 270 unq 0 iso 0 dist 7.89335 4.28765 8.49032 9.04304 8.38298 10.9434 numMergedOcc 0
