0 mol 5 unq 0 iso 0 dist 5.44356 10.8301 7.50453 8.39424 5.69239 3.33561 numMergedOcc 0
1 mol 5 unq 1 iso 0 dist 5.63302 9.53396 7.74636 5.8674 7.64769 5.31713 numMergedOcc 0
2 mol 5 unq 2 iso 0 dist 5.63302 9.53396 7.74636 6.88126 8.31759 7.84244 numMergedOcc 0
3 mol 5 unq 3 iso 0 dist 5.70163 8.94088 8.34817 5.8674 9.70883 13.2371 numMergedOcc 0
4 mol 5 unq 4 iso 0 dist 5.70163 8.94088 8.34817 11.1601 9.65565 3.24598 numMergedOcc 0
5 mol 20 unq 0 iso 0 dist 9.38691 13.1875 7.99756 8.92942 7.47395 4.7579 numMergedOcc 0
6 mol 20 unq 1 iso 0 dist 9.38691 8.26217 4.36087 8.92942 7.47395 3.21365 numMergedOcc 0
7 mol 20 unq 2 iso 0 dist 8.65986 14.6805 7.99756 11.253 7.47395 4.7579 numMergedOcc 0
8 mol 20 unq 3 iso 0 dist 8.65986 9.51548 4.36087 11.253 7.47395 3.21365 numMergedOcc 0
9 mol 20 unq 4 iso 0 dist 9.74724 15.502 7.99756 12.4229 7.47395 4.7579 numMergedOcc 0
10 mol 20 unq 5 iso 0 dist 9.74724 10.9502 4.36087 12.4229 7.47395 3.21365 numMergedOcc 0
11 mol 28 unq 0 iso 0 dist 8.47637 13.7014 9.2146 13.6544 8.53424 16.4255 numMergedOcc 0
12 mol 28 unq 1 iso 0 dist 8.47637 13.7014 9.2146 11.0902 7.08766 16.0765 numMergedOcc 0
13 mol 28 unq 2 iso 0 dist 8.47637 13.7014 9.2146 8.59089 4.82199 13.6412 numMergedOcc 0
14 mol 63 unq 0 iso 0 dist 9.58748 3.3919 8.78414 5.59559 8.14512 4.73277 numMergedOcc 0
15 mol 63 unq 1 iso 0 dist 9.58748 3.3919 8.78414 9.7326 9.13228 10.1907 numMergedOcc 0
16 mol 68 unq 0 iso 0 dist 8.32093 5.69088 8.19932 5.29172 7.7485 7.98805 numMergedOcc 0
17 mol 78 unq 0 iso 0 dist 8.70827 11.7395 9.38837 8.43906 9.07629 4.83106 numMergedOcc 0
18 mol 78 unq 1 iso 0 dist 8.70827 11.7395 9.38837 12.2898 8.61143 4.315 numMergedOcc 0
19 mol 78 unq 2 iso 0 dist 8.70827 6.52581 9.80913 8.43906 9.07629 9.40741 numMergedOcc 0
20 mol 78 unq 3 iso 0 dist 8.70827 6.52581 9.80913 12.2898 8.61143 9.00868 numMergedOcc 0
21 mol 78 unq 4 iso 0 dist 9.86479 17.0074 9.38837 14.7216 9.07629 4.83106 numMergedOcc 0
22 mol 78 unq 5 iso 0 dist 9.86479 17.0074 9.38837 16.1736 8.61143 4.315 numMergedOcc 0
23 mol 78 unq 6 iso 0 dist 9.86479 10.4812 9.80913 14.7216 9.07629 9.40741 numMergedOcc 0
24 mol 78 unq 7 iso 0 dist 9.86479 10.4812 9.80913 16.1736 8.61143 9.00868 numMergedOcc 0
25 mol 116 unq 0 iso 0 dist 7.39112 4.13685 9.87354 4.89202 6.55227 6.51576 numMergedOcc 0
26 mol 123 unq 0 iso 0 dist 8.24171 11.3179 4.14492 3.00129 5.56127 8.42496 numMergedOcc 0
27 mol 123 unq 1 iso 0 dist 8.24171 11.3179 4.14492 12.1183 8.03692 10.3919 numMergedOcc 0
28 mol 123 unq 2 iso 0 dist 8.24171 11.3179 4.14492 10.7803 5.36214 3.3389 numMergedOcc 0
29 mol 123 unq 3 iso 0 dist 5.38148 7.20593 4.14492 8.56894 5.56127 8.42496 numMergedOcc 0
30 mol 123 unq 4 iso 0 dist 5.38148 7.20593 4.14492 3.21474 8.03692 10.3919 numMergedOcc 0
31 mol 123 unq 5 iso 0 dist 5.38148 7.20593 4.14492 9.94939 5.36214 3.3389 numMergedOcc 0
32 mol 123 unq 6 iso 0 dist 6.63094 6.48535 4.14492 5.2546 5.56127 8.42496 numMergedOcc 0
33 mol 123 unq 7 iso 0 dist 6.63094 6.48535 4.14492 12.6794 8.03692 10.3919 numMergedOcc 0
34 mol 123 unq 8 iso 0 dist 6.63094 6.48535 4.14492 5.79985 5.36214 3.3389 numMergedOcc 0
35 mol 169 unq 0 iso 0 dist 9.39809 3.38465 7.65903 6.05322 5.10589 3.18152 numMergedOcc 0
36 mol 169 unq 1 iso 0 dist 8.38775 3.38465 5.97653 6.05322 4.63336 3.18152 numMergedOcc 0
37 mol 186 unq 0 iso 0 dist 9.64977 9.48084 8.92135 13.3603 7.25595 14.4913 numMergedOcc 0
38 mol 186 unq 1 iso 0 dist 9.64977 9.48084 8.92135 11.4647 9.94825 5.43612 numMergedOcc 0
39 mol 194 unq 0 iso 0 dist 8.93352 6.8892 5.89939 13.336 4.68722 9.23342 numMergedOcc 0
40 mol 194 unq 1 iso 0 dist 8.93352 6.8892 5.89939 11.2435 5.18325 10.3782 numMergedOcc 0
41 mol 194 unq 2 iso 0 dist 8.93352 9.3765 8.18853 13.336 4.68722 11.7699 numMergedOcc 0
42 mol 194 unq 3 iso 0 dist 8.93352 9.3765 8.18853 11.2435 5.18325 13.0759 numMergedOcc 0
43 mol 214 unq 0 iso 0 dist 9.07582 12.4228 8.49349 13.7118 8.66082 4.84709 numMergedOcc 0
44 mol 214 unq 1 iso 0 dist 8.62183 14.2062 8.49349 14.3245 8.66082 4.84709 numMergedOcc 0
45 mol 260 unq 0 iso 0 dist 9.68243 7.07474 8.51564 7.79959 7.04263 8.22506 numMergedOcc 0
46 mol 260 unq 1 iso 0 dist 9.68243 7.07474 8.51564 9.44591 6.48099 3.68866 numMergedOcc 0
