0 mol 1 unq 0 iso 0 dist 8.56884 6.09918 8.78328 5.92202 11.9816 8.26708 4.50502 5.96833 7.27254 6.27888 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 9.16962 5.69955 4.80984 9.78225 10.9838 8.6385 8.25132 5.84066 6.73167 7.73394 numMergedOcc 0
2 mol 26 unq 1 iso 0 dist 9.16962 5.69955 4.80984 9.78225 10.9838 8.6385 4.94205 11.8063 7.40948 7.42064 numMergedOcc 0
3 mol 131 unq 0 iso 0 dist 8.6243 6.92648 6.01893 7.58238 14.1661 9.15431 8.57203 12.3382 6.78801 4.57579 numMergedOcc 0
4 mol 131 unq 1 iso 0 dist 8.6243 6.92648 6.01893 6.63273 6.91348 9.29384 8.57203 12.3382 6.78801 12.6005 numMergedOcc 0
5 mol 131 unq 2 iso 0 dist 6.91348 9.29384 6.01893 13.2572 14.1661 9.15431 12.6005 12.3382 6.78801 4.57579 numMergedOcc 0
6 mol 131 unq 3 iso 0 dist 6.91348 9.29384 6.01893 6.63273 8.6243 6.92648 12.6005 12.3382 6.78801 8.57203 numMergedOcc 0
7 mol 131 unq 4 iso 0 dist 9.51418 9.29384 15.1974 13.2572 20.4785 9.15431 12.6005 20.4658 6.78801 4.57579 numMergedOcc 0
8 mol 131 unq 5 iso 0 dist 9.51418 9.29384 15.1974 6.63273 12.9472 6.92648 12.6005 20.4658 6.78801 8.57203 numMergedOcc 0
9 mol 134 unq 0 iso 0 dist 8.79571 8.20836 9.65798 5.62899 13.0121 7.36779 16.4114 15.8119 8.48313 14.2036 numMergedOcc 0
10 mol 134 unq 1 iso 0 dist 8.79571 8.20836 9.65798 5.62899 13.0121 7.36779 12.8086 14.0978 6.99345 10.092 numMergedOcc 0
11 mol 134 unq 2 iso 0 dist 8.79571 8.20836 9.65798 5.62899 13.0121 7.36779 7.41373 11.7151 5.11043 4.46337 numMergedOcc 0
12 mol 141 unq 0 iso 0 dist 6.93652 6.69515 8.00633 6.21253 11.8898 7.86572 13.2918 12.0433 6.77921 13.4066 numMergedOcc 0
13 mol 194 unq 0 iso 0 dist 6.47873 6.26839 6.8278 8.0179 11.6993 8.12346 10.0756 12.0979 5.53324 10.2793 numMergedOcc 0
14 mol 194 unq 1 iso 0 dist 6.47873 6.26839 6.8278 8.0179 11.6993 8.12346 11.8031 10.6632 6.72182 9.09233 numMergedOcc 0
15 mol 194 unq 2 iso 0 dist 6.47873 6.26839 6.8278 14.6506 11.9484 8.83356 10.0756 12.0979 5.53324 10.463 numMergedOcc 0
16 mol 194 unq 3 iso 0 dist 6.47873 6.26839 6.8278 14.6506 11.9484 8.83356 11.8031 10.6632 6.72182 4.66791 numMergedOcc 0
17 mol 194 unq 4 iso 0 dist 6.47873 6.26839 6.8278 8.48054 8.38695 8.2654 10.0756 12.0979 5.53324 12.8494 numMergedOcc 0
18 mol 194 unq 5 iso 0 dist 6.47873 6.26839 6.8278 8.48054 8.38695 8.2654 11.8031 10.6632 6.72182 7.73551 numMergedOcc 0
19 mol 194 unq 6 iso 0 dist 5.48258 8.83356 7.69247 14.6506 12.1599 6.26839 10.463 11.4718 5.53324 10.0756 numMergedOcc 0
20 mol 194 unq 7 iso 0 dist 5.48258 8.83356 7.69247 14.6506 12.1599 6.26839 4.66791 7.10155 6.72182 11.8031 numMergedOcc 0
21 mol 194 unq 8 iso 0 dist 5.48258 8.83356 7.69247 13.5632 13.8412 8.12346 10.463 11.4718 5.53324 10.2793 numMergedOcc 0
22 mol 194 unq 9 iso 0 dist 5.48258 8.83356 7.69247 13.5632 13.8412 8.12346 4.66791 7.10155 6.72182 9.09233 numMergedOcc 0
23 mol 194 unq 10 iso 0 dist 5.48258 8.83356 7.69247 11.6097 10.3975 8.2654 10.463 11.4718 5.53324 12.8494 numMergedOcc 0
24 mol 194 unq 11 iso 0 dist 5.48258 8.83356 7.69247 11.6097 10.3975 8.2654 4.66791 7.10155 6.72182 7.73551 numMergedOcc 0
25 mol 194 unq 12 iso 0 dist 6.15769 8.83356 13.9521 14.6506 18.923 6.26839 10.463 16.4919 5.53324 10.0756 numMergedOcc 0
26 mol 194 unq 13 iso 0 dist 6.15769 8.83356 13.9521 14.6506 18.923 6.26839 4.66791 9.48418 6.72182 11.8031 numMergedOcc 0
27 mol 194 unq 14 iso 0 dist 6.15769 8.83356 13.9521 13.5632 18.1875 8.12346 10.463 16.4919 5.53324 10.2793 numMergedOcc 0
28 mol 194 unq 15 iso 0 dist 6.15769 8.83356 13.9521 13.5632 18.1875 8.12346 4.66791 9.48418 6.72182 9.09233 numMergedOcc 0
29 mol 194 unq 16 iso 0 dist 6.15769 8.83356 13.9521 11.6097 14.4527 8.2654 10.463 16.4919 5.53324 12.8494 numMergedOcc 0
30 mol 194 unq 17 iso 0 dist 6.15769 8.83356 13.9521 11.6097 14.4527 8.2654 4.66791 9.48418 6.72182 7.73551 numMergedOcc 0
31 mol 194 unq 18 iso 0 dist 8.38695 8.2654 6.8278 8.48054 6.47873 6.26839 12.8494 12.0979 5.53324 10.0756 numMergedOcc 0
32 mol 194 unq 19 iso 0 dist 8.38695 8.2654 6.8278 8.48054 6.47873 6.26839 7.73551 10.6632 6.72182 11.8031 numMergedOcc 0
33 mol 194 unq 20 iso 0 dist 8.38695 8.2654 6.8278 6.26298 11.6993 8.12346 12.8494 12.0979 5.53324 10.2793 numMergedOcc 0
34 mol 194 unq 21 iso 0 dist 8.38695 8.2654 6.8278 6.26298 11.6993 8.12346 7.73551 10.6632 6.72182 9.09233 numMergedOcc 0
35 mol 194 unq 22 iso 0 dist 8.38695 8.2654 6.8278 11.6097 11.9484 8.83356 12.8494 12.0979 5.53324 10.463 numMergedOcc 0
36 mol 194 unq 23 iso 0 dist 8.38695 8.2654 6.8278 11.6097 11.9484 8.83356 7.73551 10.6632 6.72182 4.66791 numMergedOcc 0
37 mol 195 unq 0 iso 0 dist 8.36117 7.62942 9.08602 10.7531 9.36654 6.60567 6.04871 5.87439 6.34234 5.41635 numMergedOcc 0
38 mol 195 unq 1 iso 0 dist 8.36117 7.62942 9.08602 10.7531 9.36654 6.60567 8.04534 14.8033 7.87972 11.9954 numMergedOcc 0
39 mol 195 unq 2 iso 0 dist 6.77578 7.62942 8.18628 10.7531 11.955 6.60567 6.04871 8.18059 6.34234 5.41635 numMergedOcc 0
40 mol 195 unq 3 iso 0 dist 6.77578 7.62942 8.18628 10.7531 11.955 6.60567 8.04534 12.7484 7.87972 11.9954 numMergedOcc 0
41 mol 218 unq 0 iso 0 dist 8.53199 6.29511 10.1198 4.72474 12.0819 8.86175 6.0516 14.2825 8.04838 3.8877 numMergedOcc 0
42 mol 227 unq 0 iso 0 dist 9.62609 5.4694 5.23507 5.22356 13.4493 8.38865 4.69247 10.4959 5.28771 4.1511 numMergedOcc 0
43 mol 227 unq 1 iso 0 dist 8.17891 8.38865 5.92529 5.22356 6.95902 5.4694 4.1511 7.79951 5.28771 4.69247 numMergedOcc 0
44 mol 227 unq 2 iso 0 dist 6.95902 5.4694 5.92529 5.22356 8.17891 8.38865 4.69247 7.79951 5.28771 4.1511 numMergedOcc 0
45 mol 276 unq 0 iso 0 dist 9.38971 6.70215 5.86074 5.41205 12.4019 7.25423 4.51728 10.7567 7.49391 5.45206 numMergedOcc 0
46 mol 276 unq 1 iso 0 dist 9.38971 6.70215 5.86074 10.6102 13.6336 7.88706 4.51728 10.7567 7.49391 9.33434 numMergedOcc 0
47 mol 276 unq 2 iso 0 dist 9.38971 6.70215 5.86074 8.62129 8.71541 7.23916 4.51728 10.7567 7.49391 12.2368 numMergedOcc 0
48 mol 276 unq 3 iso 0 dist 8.71541 7.23916 5.86074 8.62129 9.38971 6.70215 12.2368 10.7567 7.49391 4.51728 numMergedOcc 0
49 mol 276 unq 4 iso 0 dist 8.71541 7.23916 5.86074 10.1636 12.4019 7.25423 12.2368 10.7567 7.49391 5.45206 numMergedOcc 0
50 mol 276 unq 5 iso 0 dist 8.71541 7.23916 5.86074 12.4616 13.6336 7.88706 12.2368 10.7567 7.49391 9.33434 numMergedOcc 0
