0 mol 61 unq 0 iso 0 dist 8.6338 9.22002 11.2947 10.0633 8.8795 16.1999 numMergedOcc 0
1 mol 61 unq 1 iso 0 dist 8.6338 7.52103 4.78811 10.0633 8.8795 12.1145 numMergedOcc 0
2 mol 61 unq 2 iso 0 dist 7.31677 8.46556 4.78811 6.30737 8.8795 12.1145 numMergedOcc 0
3 mol 64 unq 0 iso 0 dist 9.82294 8.99491 5.9853 7.89444 5.66803 5.54343 numMergedOcc 0
4 mol 64 unq 1 iso 0 dist 9.82294 8.99491 5.9853 18.0124 8.85416 13.7301 numMergedOcc 0
5 mol 69 unq 0 iso 0 dist 7.00234 8.91902 4.33228 5.57378 7.03224 8.31114 numMergedOcc 0
6 mol 69 unq 1 iso 0 dist 7.30652 5.47319 7.0643 10.3741 7.03224 12.6637 numMergedOcc 0
7 mol 69 unq 2 iso 0 dist 7.30652 9.8809 15.5982 10.3741 7.03224 19.7965 numMergedOcc 0
8 mol 76 unq 0 iso 0 dist 8.92491 7.47794 7.84269 8.04327 5.73235 10.3438 numMergedOcc 0
9 mol 76 unq 1 iso 0 dist 8.92491 7.47794 7.84269 14.685 7.48127 15.0588 numMergedOcc 0
10 mol 76 unq 2 iso 0 dist 7.41861 6.4551 10.6009 7.7047 5.73235 11.7544 numMergedOcc 0
11 mol 76 unq 3 iso 0 dist 7.41861 6.4551 10.6009 4.00834 7.48127 4.83274 numMergedOcc 0
12 mol 92 unq 0 iso 0 dist 9.29249 7.5819 9.40813 9.44377 7.70612 13.2395 numMergedOcc 0
13 mol 115 unq 0 iso 0 dist 5.73946 5.02717 4.75197 4.75292 9.33293 9.71126 numMergedOcc 0
14 mol 129 unq 0 iso 0 dist 5.16531 6.38163 6.13737 12.2874 9.52061 10.482 numMergedOcc 0
15 mol 133 unq 0 iso 0 dist 6.9268 9.3894 10.2681 8.75242 5.79195 15.4604 numMergedOcc 0
16 mol 133 unq 1 iso 0 dist 6.9268 9.3894 10.2681 14.0828 9.2759 12.9713 numMergedOcc 0
17 mol 133 unq 2 iso 0 dist 6.9268 9.3894 10.2681 15.4372 8.76088 17.6258 numMergedOcc 0
18 mol 133 unq 3 iso 0 dist 9.73038 9.50322 5.34829 17.9749 8.8353 10.614 numMergedOcc 0
19 mol 133 unq 4 iso 0 dist 9.73038 5.82404 9.67676 17.9749 8.8353 15.7117 numMergedOcc 0
20 mol 159 unq 0 iso 0 dist 8.20121 4.91784 5.10423 10.242 6.86212 8.55431 numMergedOcc 0
21 mol 159 unq 1 iso 0 dist 7.52779 4.91784 7.18851 10.242 9.9368 8.55431 numMergedOcc 0
22 mol 162 unq 0 iso 0 dist 9.74749 9.97921 6.22059 10.4244 9.96586 13.9777 numMergedOcc 0
23 mol 162 unq 1 iso 0 dist 9.74749 9.97921 6.22059 5.55488 7.30751 10.282 numMergedOcc 0
24 mol 167 unq 0 iso 0 dist 6.28957 8.43038 4.70374 5.44954 7.20545 8.58946 numMergedOcc 0
25 mol 167 unq 1 iso 0 dist 7.34285 9.87966 4.70374 9.15105 7.20545 8.58946 numMergedOcc 0
26 mol 175 unq 0 iso 0 dist 8.57666 8.58906 5.34813 10.4645 7.03107 11.9781 numMergedOcc 0
27 mol 175 unq 1 iso 0 dist 8.57666 8.58906 5.34813 6.623 7.30813 10.6016 numMergedOcc 0
28 mol 205 unq 0 iso 0 dist 8.47833 6.752 5.58339 11.2438 6.43519 10.8734 numMergedOcc 0
29 mol 205 unq 1 iso 0 dist 5.47586 8.10287 7.78052 7.47443 6.43519 6.57849 numMergedOcc 0
30 mol 205 unq 2 iso 0 dist 5.47586 5.4913 5.58339 7.47443 6.43519 10.8734 numMergedOcc 0
31 mol 236 unq 0 iso 0 dist 9.51001 5.66569 10.5269 11.094 4.71683 11.2195 numMergedOcc 0
32 mol 265 unq 0 iso 0 dist 9.94957 9.772 17.2234 4.47698 7.52632 13.929 numMergedOcc 0
