0 mol 1 unq 0 iso 0 dist 8.27735 5.27206 9.00903 6.03793 8.56884 9.01967 8.7275 4.50502 10.8992 5.96833 numMergedOcc 0
1 mol 9 unq 0 iso 0 dist 7.25179 13.7 8.57077 6.62605 6.85412 8.27962 12.539 5.84314 5.8245 9.71516 numMergedOcc 0
2 mol 9 unq 1 iso 0 dist 7.25179 13.7 8.57077 4.75933 6.33889 11.4878 12.539 5.84314 5.8245 9.81658 numMergedOcc 0
3 mol 9 unq 2 iso 0 dist 8.72522 16.5569 8.57077 11.0121 6.85412 8.27962 13.4961 5.84314 5.8245 9.71516 numMergedOcc 0
4 mol 9 unq 3 iso 0 dist 8.72522 16.5569 8.57077 6.35665 6.33889 11.4878 13.4961 5.84314 5.8245 9.81658 numMergedOcc 0
5 mol 26 unq 0 iso 0 dist 7.34549 4.76147 8.34347 7.23551 6.73162 7.23546 13.5781 7.11305 14.8317 9.96121 numMergedOcc 0
6 mol 26 unq 1 iso 0 dist 8.09068 6.30129 8.34347 4.03252 6.73162 7.23546 11.9639 7.11305 14.8317 9.96121 numMergedOcc 0
7 mol 26 unq 2 iso 0 dist 9.72289 5.93227 8.34347 8.34836 6.73162 7.23546 14.7493 7.11305 14.8317 9.96121 numMergedOcc 0
8 mol 115 unq 0 iso 0 dist 5.11612 10.3475 9.33865 5.39389 7.76729 10.7942 9.21978 6.63111 6.39384 8.0168 numMergedOcc 0
9 mol 115 unq 1 iso 0 dist 5.11612 6.86762 5.83991 5.39389 7.76729 10.9739 9.21978 6.63111 9.42082 8.0168 numMergedOcc 0
10 mol 115 unq 2 iso 0 dist 5.22628 10.0419 9.33865 5.26498 7.64585 10.2377 9.26505 6.95773 6.24825 7.65255 numMergedOcc 0
11 mol 115 unq 3 iso 0 dist 5.22628 6.8104 6.11741 5.26498 7.64585 10.8939 9.26505 6.95773 10.0255 7.65255 numMergedOcc 0
12 mol 133 unq 0 iso 0 dist 8.94909 8.76089 7.11802 11.1266 7.92688 4.68409 19.7175 14.8533 13.5288 9.10003 numMergedOcc 0
13 mol 133 unq 1 iso 0 dist 8.94909 6.80087 8.00618 11.1266 7.92688 12.2037 19.7175 14.8533 20.9604 9.10003 numMergedOcc 0
14 mol 175 unq 0 iso 0 dist 7.94593 13.2723 9.0018 11.0605 9.31887 11.0415 8.03208 5.00913 13.6764 9.76114 numMergedOcc 0
15 mol 175 unq 1 iso 0 dist 7.94593 8.63795 7.652 11.0605 9.31887 5.0384 8.03208 5.00913 10.1305 9.76114 numMergedOcc 0
16 mol 181 unq 0 iso 0 dist 6.43406 10.9813 7.81386 4.56814 4.93785 6.7991 11.1968 6.8757 6.64173 9.09234 numMergedOcc 0
17 mol 181 unq 1 iso 0 dist 6.43406 10.9813 7.81386 4.56814 4.93785 6.7991 9.45579 5.71898 9.01624 6.76746 numMergedOcc 0
18 mol 181 unq 2 iso 0 dist 6.43406 10.9813 7.81386 4.56814 4.93785 6.7991 11.3781 5.83796 9.55105 8.92098 numMergedOcc 0
19 mol 197 unq 0 iso 0 dist 9.14737 9.23779 8.56633 7.69844 8.99696 9.82139 12.0075 17.0276 12.8171 9.27218 numMergedOcc 0
20 mol 234 unq 0 iso 0 dist 6.15754 11.8245 8.34494 4.48571 6.25105 10.3337 6.39499 5.53885 13.7549 7.36208 numMergedOcc 0
21 mol 234 unq 1 iso 0 dist 6.15754 12.4455 6.56247 4.48571 6.25105 11.216 6.39499 5.53885 11.1872 7.36208 numMergedOcc 0
22 mol 234 unq 2 iso 0 dist 6.15754 14.0876 9.36357 4.48571 6.25105 11.4315 6.39499 5.53885 10.5689 7.36208 numMergedOcc 0
23 mol 234 unq 3 iso 0 dist 6.6281 6.65785 8.34494 5.91466 6.25105 10.3337 10.6663 5.53885 13.7549 7.36208 numMergedOcc 0
24 mol 234 unq 4 iso 0 dist 6.6281 10.0624 6.56247 5.91466 6.25105 11.216 10.6663 5.53885 11.1872 7.36208 numMergedOcc 0
25 mol 234 unq 5 iso 0 dist 6.6281 13.9869 9.36357 5.91466 6.25105 11.4315 10.6663 5.53885 10.5689 7.36208 numMergedOcc 0
26 mol 234 unq 6 iso 0 dist 8.9413 12.4455 9.45496 6.40261 9.5707 15.9563 6.39499 3.95629 11.1872 8.27411 numMergedOcc 0
27 mol 234 unq 7 iso 0 dist 8.9413 12.4455 9.45496 6.40261 9.5707 15.9563 11.4547 15.9732 20.7134 6.96257 numMergedOcc 0
28 mol 234 unq 8 iso 0 dist 8.9413 12.4455 9.45496 4.48571 7.85175 11.216 6.39499 3.95629 11.1872 7.36208 numMergedOcc 0
29 mol 234 unq 9 iso 0 dist 8.9413 14.0876 6.7625 6.40261 9.5707 14.4106 6.39499 3.95629 10.5689 8.27411 numMergedOcc 0
30 mol 234 unq 10 iso 0 dist 8.9413 14.0876 6.7625 6.40261 9.5707 14.4106 11.4547 15.9732 19.3876 6.96257 numMergedOcc 0
31 mol 234 unq 11 iso 0 dist 8.9413 14.0876 6.7625 4.48571 7.85175 11.4315 6.39499 3.95629 10.5689 7.36208 numMergedOcc 0
32 mol 234 unq 12 iso 0 dist 4.91961 11.5103 9.45496 12.2893 9.5707 15.9563 8.6243 3.95629 11.1872 8.27411 numMergedOcc 0
33 mol 234 unq 13 iso 0 dist 4.91961 11.5103 9.45496 12.2893 9.5707 15.9563 17.9127 15.9732 20.7134 6.96257 numMergedOcc 0
34 mol 234 unq 14 iso 0 dist 4.91961 11.5103 9.45496 11.1927 7.85175 11.216 8.6243 3.95629 11.1872 7.36208 numMergedOcc 0
35 mol 234 unq 15 iso 0 dist 4.91961 4.98993 6.7625 12.2893 9.5707 14.4106 8.6243 3.95629 10.5689 8.27411 numMergedOcc 0
36 mol 234 unq 16 iso 0 dist 4.91961 4.98993 6.7625 12.2893 9.5707 14.4106 17.9127 15.9732 19.3876 6.96257 numMergedOcc 0
37 mol 234 unq 17 iso 0 dist 4.91961 4.98993 6.7625 11.1927 7.85175 11.4315 8.6243 3.95629 10.5689 7.36208 numMergedOcc 0
38 mol 235 unq 0 iso 0 dist 8.84872 4.28841 5.4638 13.4086 9.58736 9.66021 17.7298 13.7306 13.8176 7.02029 numMergedOcc 0
39 mol 248 unq 0 iso 0 dist 9.5107 11.8955 7.69895 7.39322 6.07192 6.48757 10.2557 4.58289 9.05018 5.0345 numMergedOcc 0
40 mol 248 unq 1 iso 0 dist 9.5107 6.97887 7.21521 7.39322 6.07192 5.51827 10.2557 4.58289 9.33962 5.0345 numMergedOcc 0
41 mol 248 unq 2 iso 0 dist 9.5107 5.78576 8.2965 7.39322 6.07192 9.29921 10.2557 4.58289 11.4547 5.0345 numMergedOcc 0
42 mol 259 unq 0 iso 0 dist 6.20344 5.56656 7.88519 12.9748 7.48005 11.6195 14.558 10.282 14.2242 8.84648 numMergedOcc 0
43 mol 259 unq 1 iso 0 dist 6.20344 5.56656 7.88519 12.9748 7.48005 11.6195 13.5375 10.067 10.3406 6.23661 numMergedOcc 0
44 mol 259 unq 2 iso 0 dist 6.20344 6.08432 7.84554 12.9748 7.48005 11.8736 14.558 10.282 16.7322 8.84648 numMergedOcc 0
45 mol 259 unq 3 iso 0 dist 6.20344 6.08432 7.84554 12.9748 7.48005 11.8736 13.5375 10.067 12.8546 6.23661 numMergedOcc 0
46 mol 259 unq 4 iso 0 dist 6.20344 10.3156 7.46176 12.9748 7.48005 5.79468 14.558 10.282 11.7465 8.84648 numMergedOcc 0
47 mol 259 unq 5 iso 0 dist 6.20344 10.3156 7.46176 12.9748 7.48005 5.79468 13.5375 10.067 5.85442 6.23661 numMergedOcc 0
48 mol 259 unq 6 iso 0 dist 6.20344 9.55719 9.18903 12.9748 7.48005 12.6649 14.558 10.282 19.0182 8.84648 numMergedOcc 0
49 mol 259 unq 7 iso 0 dist 6.20344 9.55719 9.18903 12.9748 7.48005 12.6649 13.5375 10.067 16.0301 6.23661 numMergedOcc 0
50 mol 282 unq 0 iso 0 dist 7.12228 4.36798 6.33524 7.00729 7.32347 6.3384 10.9891 5.29852 10.2229 7.52924 numMergedOcc 0
