0 mol 26 unq 0 iso 0 dist 5.69955 8.25132 6.73167 4.94205 7.40948 10.1642 9.16962 4.80984 5.84066 11.8063 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 8.6385 7.73394 6.73167 7.42064 7.40948 10.1642 10.9838 4.80984 5.84066 11.8063 numMergedOcc 0
2 mol 92 unq 0 iso 0 dist 6.61823 4.3481 6.9223 5.31547 6.98037 6.02822 11.9364 7.24263 9.39807 10.2461 numMergedOcc 0
3 mol 112 unq 0 iso 0 dist 6.43433 6.75738 7.44041 10.5563 5.43933 9.41803 11.6045 9.06991 8.91262 12.244 numMergedOcc 0
4 mol 112 unq 1 iso 0 dist 6.43433 6.75738 7.44041 6.95317 4.99604 10.5905 11.6045 9.06991 8.91262 13.9563 numMergedOcc 0
5 mol 112 unq 2 iso 0 dist 6.43433 6.75738 7.44041 13.5094 9.97483 10.596 11.6045 9.06991 8.91262 15.3174 numMergedOcc 0
6 mol 112 unq 3 iso 0 dist 9.92283 5.43385 7.44041 12.6108 5.43933 9.41803 13.0457 9.06991 8.91262 12.244 numMergedOcc 0
7 mol 112 unq 4 iso 0 dist 9.92283 5.43385 7.44041 10.9279 4.99604 10.5905 13.0457 9.06991 8.91262 13.9563 numMergedOcc 0
8 mol 112 unq 5 iso 0 dist 9.92283 5.43385 7.44041 13.764 9.97483 10.596 13.0457 9.06991 8.91262 15.3174 numMergedOcc 0
9 mol 119 unq 0 iso 0 dist 7.77116 6.9194 9.6121 9.68677 9.57341 12.7135 9.63176 8.96522 6.55202 9.08536 numMergedOcc 0
10 mol 119 unq 1 iso 0 dist 7.77116 9.68677 9.57341 6.9194 9.6121 12.7135 14.0269 11.1324 6.13374 14.4956 numMergedOcc 0
11 mol 119 unq 2 iso 0 dist 7.77116 9.68677 9.57341 6.9194 9.6121 12.7135 9.63176 8.96522 9.08536 6.55202 numMergedOcc 0
12 mol 134 unq 0 iso 0 dist 7.36779 14.2036 8.48313 10.092 6.99345 6.05407 20.301 13.6926 6.57379 11.8267 numMergedOcc 0
13 mol 134 unq 1 iso 0 dist 7.36779 14.2036 8.48313 4.46337 5.11043 10.5379 20.301 13.6926 6.57379 16.4934 numMergedOcc 0
14 mol 134 unq 2 iso 0 dist 7.36779 10.092 6.99345 14.2036 8.48313 6.05407 11.425 8.05714 6.44575 10.0977 numMergedOcc 0
15 mol 134 unq 3 iso 0 dist 7.36779 10.092 6.99345 4.46337 5.11043 5.83782 11.425 8.05714 6.44575 7.43401 numMergedOcc 0
16 mol 134 unq 4 iso 0 dist 7.36779 4.46337 5.11043 14.2036 8.48313 10.5379 11.425 8.05714 7.43401 10.0977 numMergedOcc 0
17 mol 134 unq 5 iso 0 dist 7.36779 4.46337 5.11043 10.092 6.99345 5.83782 11.425 8.05714 7.43401 6.44575 numMergedOcc 0
18 mol 134 unq 6 iso 0 dist 8.20836 16.4114 8.48313 12.8086 6.99345 6.05407 21.5049 13.6926 6.57379 11.8267 numMergedOcc 0
19 mol 134 unq 7 iso 0 dist 8.20836 16.4114 8.48313 7.41373 5.11043 10.5379 21.5049 13.6926 6.57379 16.4934 numMergedOcc 0
20 mol 134 unq 8 iso 0 dist 8.20836 12.8086 6.99345 16.4114 8.48313 6.05407 11.2292 8.05714 6.44575 10.0977 numMergedOcc 0
21 mol 134 unq 9 iso 0 dist 8.20836 12.8086 6.99345 7.41373 5.11043 5.83782 11.2292 8.05714 6.44575 7.43401 numMergedOcc 0
22 mol 134 unq 10 iso 0 dist 8.20836 7.41373 5.11043 16.4114 8.48313 10.5379 11.2292 8.05714 7.43401 10.0977 numMergedOcc 0
23 mol 134 unq 11 iso 0 dist 8.20836 7.41373 5.11043 12.8086 6.99345 5.83782 11.2292 8.05714 7.43401 6.44575 numMergedOcc 0
24 mol 140 unq 0 iso 0 dist 5.39064 4.91618 7.19291 4.75859 6.66504 6.09915 8.19104 5.39245 6.88846 10.1171 numMergedOcc 0
25 mol 186 unq 0 iso 0 dist 9.83476 15.0914 6.07389 13.6744 7.04815 6.05141 15.2392 6.20673 7.25339 10.7045 numMergedOcc 0
26 mol 194 unq 0 iso 0 dist 6.26839 11.8031 6.72182 10.0756 5.53324 9.10229 12.1599 7.69247 7.10155 11.4718 numMergedOcc 0
27 mol 194 unq 1 iso 0 dist 8.12346 9.09233 6.72182 10.2793 5.53324 9.10229 13.8412 7.69247 7.10155 11.4718 numMergedOcc 0
28 mol 194 unq 2 iso 0 dist 8.83356 4.66791 6.72182 10.463 5.53324 9.10229 5.48258 7.69247 7.10155 11.4718 numMergedOcc 0
29 mol 194 unq 3 iso 0 dist 8.2654 7.73551 6.72182 12.8494 5.53324 9.10229 10.3975 7.69247 7.10155 11.4718 numMergedOcc 0
30 mol 195 unq 0 iso 0 dist 6.60567 5.41635 6.34234 11.9954 7.87972 10.558 9.36654 9.08602 5.87439 14.8033 numMergedOcc 0
31 mol 195 unq 1 iso 0 dist 6.60567 5.41635 6.34234 11.9954 7.87972 10.558 11.955 8.18628 8.18059 12.7484 numMergedOcc 0
32 mol 195 unq 2 iso 0 dist 6.60567 11.9954 7.87972 5.41635 6.34234 10.558 9.45278 5.15519 9.74988 11.2434 numMergedOcc 0
33 mol 195 unq 3 iso 0 dist 7.62942 6.04871 6.34234 8.04534 7.87972 10.558 8.36117 9.08602 5.87439 14.8033 numMergedOcc 0
34 mol 195 unq 4 iso 0 dist 7.62942 6.04871 6.34234 8.04534 7.87972 10.558 6.77578 8.18628 8.18059 12.7484 numMergedOcc 0
35 mol 195 unq 5 iso 0 dist 7.62942 8.04534 7.87972 6.04871 6.34234 10.558 12.4119 5.15519 9.74988 11.2434 numMergedOcc 0
36 mol 225 unq 0 iso 0 dist 8.87609 17.3148 9.87668 13.3773 8.42121 8.05944 12.2336 8.99405 8.91356 11.0655 numMergedOcc 0
37 mol 225 unq 1 iso 0 dist 8.87609 17.3148 9.87668 13.3773 8.42121 8.05944 26.2681 18.6744 9.59574 17.3056 numMergedOcc 0
38 mol 225 unq 2 iso 0 dist 8.87609 17.3148 9.87668 3.97158 7.8744 16.7885 12.2336 8.99405 8.91356 11.5012 numMergedOcc 0
39 mol 225 unq 3 iso 0 dist 8.87609 17.3148 9.87668 3.97158 7.8744 16.7885 26.2681 18.6744 9.59574 25.0954 numMergedOcc 0
40 mol 225 unq 4 iso 0 dist 8.87609 17.3148 9.87668 9.9875 4.98402 13.7858 12.2336 8.99405 8.91356 13.9144 numMergedOcc 0
41 mol 225 unq 5 iso 0 dist 8.87609 17.3148 9.87668 9.9875 4.98402 13.7858 26.2681 18.6744 9.59574 22.2172 numMergedOcc 0
