0 mol 7 unq 0 iso 0 dist 5.72491 9.67164 8.0744 12.2041 7.88043 5.99459 7.12508 8.15894 12.8006 12.8323 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 7.88043 5.99459 8.0744 12.2041 5.72491 9.67164 12.8323 8.15894 12.8006 7.12508 numMergedOcc 0
2 mol 43 unq 0 iso 0 dist 9.93832 6.6263 4.55347 8.13395 8.60739 6.75943 10.8828 7.24352 8.34145 5.07458 numMergedOcc 0
3 mol 43 unq 1 iso 0 dist 8.60739 6.75943 4.55347 8.13395 9.93832 6.6263 5.07458 7.24352 8.34145 10.8828 numMergedOcc 0
4 mol 134 unq 0 iso 0 dist 7.36779 9.66543 4.935 5.62899 8.20836 7.21868 14.2036 8.48313 12.2382 16.4114 numMergedOcc 0
5 mol 134 unq 1 iso 0 dist 7.36779 9.66543 4.935 5.62899 8.20836 7.21868 10.092 6.99345 11.2397 12.8086 numMergedOcc 0
6 mol 134 unq 2 iso 0 dist 7.36779 9.66543 4.935 5.62899 8.20836 7.21868 4.46337 5.11043 8.62504 7.41373 numMergedOcc 0
7 mol 134 unq 3 iso 0 dist 8.20836 7.21868 4.935 5.62899 7.36779 9.66543 16.4114 8.48313 12.2382 14.2036 numMergedOcc 0
8 mol 134 unq 4 iso 0 dist 8.20836 7.21868 4.935 5.62899 7.36779 9.66543 12.8086 6.99345 11.2397 10.092 numMergedOcc 0
9 mol 134 unq 5 iso 0 dist 8.20836 7.21868 4.935 5.62899 7.36779 9.66543 7.41373 5.11043 8.62504 4.46337 numMergedOcc 0
10 mol 141 unq 0 iso 0 dist 6.69515 8.07097 5.25982 6.21253 7.86572 11.5913 13.2918 6.77921 7.92216 13.4066 numMergedOcc 0
11 mol 152 unq 0 iso 0 dist 9.77552 6.59889 4.71678 7.65448 8.28642 6.70693 12.4535 6.92726 10.4667 9.84297 numMergedOcc 0
12 mol 152 unq 1 iso 0 dist 9.77552 8.9192 7.11377 7.65448 8.28642 9.27706 12.4535 6.92726 13.6351 9.84297 numMergedOcc 0
13 mol 152 unq 2 iso 0 dist 8.28642 6.70693 4.71678 7.65448 9.77552 6.59889 9.84297 6.92726 10.4667 12.4535 numMergedOcc 0
14 mol 186 unq 0 iso 0 dist 7.24795 8.73533 9.40383 9.41955 9.56197 16.711 3.90244 8.57801 11.5162 6.89047 numMergedOcc 0
15 mol 186 unq 1 iso 0 dist 7.24795 8.73533 9.40383 13.684 8.64409 17.684 3.90244 8.57801 11.5162 12.6058 numMergedOcc 0
16 mol 186 unq 2 iso 0 dist 7.24795 8.73533 9.40383 9.45987 7.60202 13.8845 3.90244 8.57801 11.5162 7.21555 numMergedOcc 0
17 mol 195 unq 0 iso 0 dist 6.60567 7.41662 9.48862 10.7531 7.62942 16.1768 5.41635 6.34234 11.6534 6.04871 numMergedOcc 0
18 mol 195 unq 1 iso 0 dist 6.60567 7.41662 9.48862 10.7531 7.62942 16.1768 11.9954 7.87972 16.4813 8.04534 numMergedOcc 0
19 mol 195 unq 2 iso 0 dist 7.62942 9.03441 8.89297 10.7531 6.60567 14.2497 6.04871 6.34234 11.3524 5.41635 numMergedOcc 0
20 mol 195 unq 3 iso 0 dist 7.62942 9.03441 8.89297 10.7531 6.60567 14.2497 8.04534 7.87972 12.8025 11.9954 numMergedOcc 0
21 mol 207 unq 0 iso 0 dist 7.96797 5.12567 5.47626 11.0921 8.32218 12.2823 4.56899 8.78061 4.76113 14.0642 numMergedOcc 0
22 mol 207 unq 1 iso 0 dist 7.96797 6.0563 7.64813 11.0921 8.32218 10.8457 4.56899 8.78061 9.29133 14.0642 numMergedOcc 0
23 mol 207 unq 2 iso 0 dist 7.96797 8.1244 11.9725 11.0921 8.32218 12.7815 4.56899 8.78061 12.1046 14.0642 numMergedOcc 0
24 mol 218 unq 0 iso 0 dist 8.86175 8.75536 13.4147 4.72474 6.29511 7.33709 3.8877 8.04838 10.6793 6.0516 numMergedOcc 0
25 mol 218 unq 1 iso 0 dist 6.29511 7.33709 13.4147 4.72474 8.86175 8.75536 6.0516 8.04838 10.6793 3.8877 numMergedOcc 0
26 mol 227 unq 0 iso 0 dist 8.38865 5.23634 7.3164 5.22356 5.4694 6.91318 4.1511 5.28771 6.09335 4.69247 numMergedOcc 0
27 mol 227 unq 1 iso 0 dist 5.4694 6.91318 7.3164 5.22356 8.38865 5.23634 4.69247 5.28771 6.09335 4.1511 numMergedOcc 0
28 mol 229 unq 0 iso 0 dist 8.92743 7.27993 6.93188 6.94172 8.08082 11.0297 11.0437 6.42694 12.4584 5.66641 numMergedOcc 0
29 mol 229 unq 1 iso 0 dist 8.92743 7.27993 6.93188 6.94172 8.08082 11.0297 11.9989 7.63917 11.5308 7.4175 numMergedOcc 0
30 mol 229 unq 2 iso 0 dist 8.92743 7.27993 6.93188 7.0298 5.77318 6.95201 11.0437 6.42694 12.4584 7.46815 numMergedOcc 0
31 mol 229 unq 3 iso 0 dist 8.92743 7.27993 6.93188 7.0298 5.77318 6.95201 11.9989 7.63917 11.5308 5.37687 numMergedOcc 0
32 mol 229 unq 4 iso 0 dist 8.92743 7.27993 6.93188 15.7694 8.19603 14.1436 11.0437 6.42694 12.4584 6.62766 numMergedOcc 0
33 mol 229 unq 5 iso 0 dist 8.92743 7.27993 6.93188 15.7694 8.19603 14.1436 11.9989 7.63917 11.5308 6.03803 numMergedOcc 0
34 mol 229 unq 6 iso 0 dist 5.77318 6.95201 6.93188 7.0298 8.92743 7.27993 7.46815 6.42694 12.4584 11.0437 numMergedOcc 0
35 mol 229 unq 7 iso 0 dist 5.77318 6.95201 6.93188 7.0298 8.92743 7.27993 5.37687 7.63917 11.5308 11.9989 numMergedOcc 0
36 mol 229 unq 8 iso 0 dist 5.77318 6.95201 6.93188 5.5729 8.08082 11.0297 7.46815 6.42694 12.4584 5.66641 numMergedOcc 0
37 mol 229 unq 9 iso 0 dist 5.77318 6.95201 6.93188 5.5729 8.08082 11.0297 5.37687 7.63917 11.5308 7.4175 numMergedOcc 0
38 mol 229 unq 10 iso 0 dist 5.77318 6.95201 6.93188 9.96077 8.19603 14.1436 7.46815 6.42694 12.4584 6.62766 numMergedOcc 0
39 mol 229 unq 11 iso 0 dist 5.77318 6.95201 6.93188 9.96077 8.19603 14.1436 5.37687 7.63917 11.5308 6.03803 numMergedOcc 0
40 mol 264 unq 0 iso 0 dist 7.52281 5.90924 7.36132 8.96144 6.42588 9.58916 5.71153 6.02757 9.78237 6.56539 numMergedOcc 0
41 mol 264 unq 1 iso 0 dist 7.52281 5.90924 7.36132 8.96144 6.42588 9.58916 6.87635 8.67231 9.95798 4.76241 numMergedOcc 0
42 mol 264 unq 2 iso 0 dist 6.42588 9.58916 7.36132 8.96144 7.52281 5.90924 6.56539 6.02757 9.78237 5.71153 numMergedOcc 0
43 mol 264 unq 3 iso 0 dist 6.42588 9.58916 7.36132 8.96144 7.52281 5.90924 4.76241 8.67231 9.95798 6.87635 numMergedOcc 0
44 mol 264 unq 4 iso 0 dist 6.04162 9.19754 5.82131 4.92077 6.14323 8.29262 11.4167 7.14086 9.78237 13.2035 numMergedOcc 0
45 mol 264 unq 5 iso 0 dist 6.14323 8.29262 5.82131 4.92077 6.04162 9.19754 13.2035 7.14086 9.78237 11.4167 numMergedOcc 0
