0 mol 1 unq 0 iso 0 dist 7.68779 5.96722 6.4181 4.86523 6.86701 5.06184 numMergedOcc 0
1 mol 76 unq 0 iso 0 dist 8.28737 5.37389 8.58841 15.5785 9.85905 16.3337 numMergedOcc 0
2 mol 78 unq 0 iso 0 dist 6.89185 4.67605 9.10981 6.12049 8.65848 9.89481 numMergedOcc 0
3 mol 78 unq 1 iso 0 dist 6.89185 4.67605 9.10981 4.94803 7.25801 3.89733 numMergedOcc 0
4 mol 78 unq 2 iso 0 dist 7.80757 10.928 9.23023 8.07529 6.85523 13.8703 numMergedOcc 0
5 mol 78 unq 3 iso 0 dist 7.80757 10.928 9.23023 12.9164 5.77326 11.9719 numMergedOcc 0
6 mol 78 unq 4 iso 0 dist 5.5849 10.1482 9.10981 8.07529 8.65848 9.89481 numMergedOcc 0
7 mol 78 unq 5 iso 0 dist 5.5849 10.1482 9.10981 6.52163 7.25801 3.89733 numMergedOcc 0
8 mol 78 unq 6 iso 0 dist 9.2835 7.59211 9.23023 14.1127 6.85523 13.8703 numMergedOcc 0
9 mol 78 unq 7 iso 0 dist 9.2835 7.59211 9.23023 7.94748 5.77326 11.9719 numMergedOcc 0
10 mol 78 unq 8 iso 0 dist 5.02591 5.13304 9.23023 10.5433 6.85523 13.8703 numMergedOcc 0
11 mol 78 unq 9 iso 0 dist 5.02591 5.13304 9.23023 7.00354 5.77326 11.9719 numMergedOcc 0
12 mol 78 unq 10 iso 0 dist 8.75605 14.1713 9.10981 13.4429 8.65848 9.89481 numMergedOcc 0
13 mol 78 unq 11 iso 0 dist 8.75605 14.1713 9.10981 10.7757 7.25801 3.89733 numMergedOcc 0
14 mol 86 unq 0 iso 0 dist 7.26032 4.4104 8.88225 7.32234 7.90423 6.62266 numMergedOcc 0
15 mol 86 unq 1 iso 0 dist 7.26032 9.78656 9.49308 7.32234 7.90423 3.88769 numMergedOcc 0
16 mol 86 unq 2 iso 0 dist 5.49793 9.86291 8.88225 5.96801 7.90423 6.62266 numMergedOcc 0
17 mol 86 unq 3 iso 0 dist 5.49793 9.22136 9.49308 5.96801 7.90423 3.88769 numMergedOcc 0
18 mol 112 unq 0 iso 0 dist 7.63658 6.50047 7.53905 7.35282 9.05166 3.61827 numMergedOcc 0
19 mol 112 unq 1 iso 0 dist 7.63658 6.50047 7.53905 8.43423 5.56994 3.78964 numMergedOcc 0
20 mol 119 unq 0 iso 0 dist 8.59784 9.25954 5.63005 13.4766 7.64052 5.92411 numMergedOcc 0
21 mol 122 unq 0 iso 0 dist 5.09114 12.0108 9.40018 6.11558 6.00603 12.4857 numMergedOcc 0
22 mol 122 unq 1 iso 0 dist 5.09114 9.14438 6.78949 6.11558 6.00603 4.78332 numMergedOcc 0
23 mol 143 unq 0 iso 0 dist 8.72463 10.0479 8.30654 7.21648 7.36975 9.60065 numMergedOcc 0
24 mol 143 unq 1 iso 0 dist 8.72463 10.0479 8.30654 9.42107 5.40637 4.68518 numMergedOcc 0
25 mol 159 unq 0 iso 0 dist 7.78695 6.08143 7.97007 4.14252 9.36259 3.82805 numMergedOcc 0
26 mol 186 unq 0 iso 0 dist 5.63906 5.88166 8.03995 7.80781 7.2793 11.8169 numMergedOcc 0
27 mol 186 unq 1 iso 0 dist 5.63906 5.88166 8.03995 9.18057 9.51091 14.1849 numMergedOcc 0
28 mol 186 unq 2 iso 0 dist 5.63906 5.88166 8.03995 5.12552 7.85184 3.85767 numMergedOcc 0
29 mol 197 unq 0 iso 0 dist 6.22696 6.19883 8.3337 13.0947 9.10817 17.2264 numMergedOcc 0
30 mol 197 unq 1 iso 0 dist 6.22696 6.19883 8.3337 4.65029 9.73548 5.5875 numMergedOcc 0
31 mol 205 unq 0 iso 0 dist 7.36642 7.49505 5.96555 8.66359 6.52816 6.96644 numMergedOcc 0
32 mol 214 unq 0 iso 0 dist 6.83122 6.06185 9.51764 12.8946 7.46481 14.8375 numMergedOcc 0
33 mol 214 unq 1 iso 0 dist 6.83122 12.1024 5.36829 12.8946 7.46481 5.47184 numMergedOcc 0
34 mol 222 unq 0 iso 0 dist 7.14277 6.63165 7.85877 5.85969 5.56538 4.91709 numMergedOcc 0
35 mol 222 unq 1 iso 0 dist 7.14277 6.63165 7.85877 9.34147 7.48954 5.96186 numMergedOcc 0
36 mol 259 unq 0 iso 0 dist 6.49599 11.5386 8.06771 9.41512 9.46361 9.0675 numMergedOcc 0
37 mol 259 unq 1 iso 0 dist 9.47382 12.8939 9.54857 11.8307 5.85442 5.49348 numMergedOcc 0
38 mol 259 unq 2 iso 0 dist 9.47382 12.8939 9.54857 9.41512 6.95511 5.13138 numMergedOcc 0
39 mol 292 unq 0 iso 0 dist 6.8133 9.02523 9.6898 11.4338 9.9182 18.4042 numMergedOcc 0
40 mol 292 unq 1 iso 0 dist 6.8133 9.02523 9.6898 12.3949 8.9221 14.5738 numMergedOcc 0
41 mol 292 unq 2 iso 0 dist 6.8133 9.57206 5.75596 11.4338 9.9182 6.65781 numMergedOcc 0
42 mol 292 unq 3 iso 0 dist 6.8133 9.57206 5.75596 12.3949 8.9221 4.00064 numMergedOcc 0
43 mol 292 unq 4 iso 0 dist 5.69465 7.13877 9.20416 4.54051 7.20674 8.88312 numMergedOcc 0
44 mol 292 unq 5 iso 0 dist 5.69465 7.13877 9.20416 5.92893 8.38121 12.3704 numMergedOcc 0
45 mol 292 unq 6 iso 0 dist 5.69465 10.9754 7.53641 4.54051 7.20674 10.0594 numMergedOcc 0
46 mol 292 unq 7 iso 0 dist 5.69465 10.9754 7.53641 5.92893 8.38121 15.5666 numMergedOcc 0
