0 mol 7 unq 0 iso 0 dist 9.20552 9.81211 5.51421 5.26458 5.99972 4.60206 numMergedOcc 0
1 mol 11 unq 0 iso 0 dist 6.49709 7.4835 5.95165 10.4181 5.96346 4.46394 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 7.40392 10.9024 9.54519 8.92687 8.4051 12.1061 numMergedOcc 0
3 mol 24 unq 1 iso 0 dist 7.40392 10.9024 9.54519 13.278 8.23446 6.53276 numMergedOcc 0
4 mol 24 unq 2 iso 0 dist 7.40392 10.9024 9.54519 5.12527 8.75662 6.81998 numMergedOcc 0
5 mol 25 unq 0 iso 0 dist 8.94828 4.93826 8.40051 6.84017 6.16347 4.32173 numMergedOcc 0
6 mol 25 unq 1 iso 0 dist 8.94828 4.93826 8.40051 15.5398 7.92503 15.9662 numMergedOcc 0
7 mol 43 unq 0 iso 0 dist 8.06275 6.41579 8.38387 5.33298 8.95682 7.13085 numMergedOcc 0
8 mol 43 unq 1 iso 0 dist 8.90024 14.9559 8.38387 13.2914 8.95682 7.13085 numMergedOcc 0
9 mol 58 unq 0 iso 0 dist 9.81637 9.37897 6.36193 6.18332 5.93884 4.37642 numMergedOcc 0
10 mol 62 unq 0 iso 0 dist 8.27156 8.33049 8.1599 5.40878 4.74544 7.46975 numMergedOcc 0
11 mol 69 unq 0 iso 0 dist 6.92837 5.10938 9.8809 6.56303 9.97775 7.30649 numMergedOcc 0
12 mol 92 unq 0 iso 0 dist 9.96446 5.27016 8.4545 15.5614 8.18107 12.49 numMergedOcc 0
13 mol 92 unq 1 iso 0 dist 9.96446 5.27016 8.4545 8.51558 5.9465 4.1125 numMergedOcc 0
14 mol 92 unq 2 iso 0 dist 6.70686 5.27016 7.01176 15.5614 9.8859 12.49 numMergedOcc 0
15 mol 92 unq 3 iso 0 dist 6.70686 5.27016 7.01176 8.51558 6.97962 4.1125 numMergedOcc 0
16 mol 98 unq 0 iso 0 dist 9.83528 13.0144 5.9747 15.5475 6.65501 7.43001 numMergedOcc 0
17 mol 98 unq 1 iso 0 dist 9.83528 10.11 4.50572 15.5475 6.65501 9.5305 numMergedOcc 0
18 mol 98 unq 2 iso 0 dist 7.54969 12.9828 5.9747 13.2316 6.65501 7.43001 numMergedOcc 0
19 mol 98 unq 3 iso 0 dist 7.54969 9.82501 4.50572 13.2316 6.65501 9.5305 numMergedOcc 0
20 mol 109 unq 0 iso 0 dist 9.26438 9.97562 8.3164 5.26309 7.80523 4.81814 numMergedOcc 0
21 mol 109 unq 1 iso 0 dist 6.43255 13.5611 8.3164 11.4333 7.80523 4.81814 numMergedOcc 0
22 mol 109 unq 2 iso 0 dist 7.4389 13.6781 8.3164 14.0908 7.80523 4.81814 numMergedOcc 0
23 mol 122 unq 0 iso 0 dist 8.47907 5.08302 9.40018 6.9595 9.23819 4.81033 numMergedOcc 0
24 mol 122 unq 1 iso 0 dist 8.47907 5.08302 9.40018 10.577 8.88537 9.33734 numMergedOcc 0
25 mol 122 unq 2 iso 0 dist 8.47907 11.2519 6.78949 6.9595 9.23819 6.93382 numMergedOcc 0
26 mol 122 unq 3 iso 0 dist 8.47907 11.2519 6.78949 10.577 8.88537 4.21285 numMergedOcc 0
27 mol 133 unq 0 iso 0 dist 9.94179 11.088 9.3894 4.77149 6.66772 11.5759 numMergedOcc 0
28 mol 133 unq 1 iso 0 dist 8.66715 13.3005 9.50322 5.05981 9.22232 16.7326 numMergedOcc 0
29 mol 133 unq 2 iso 0 dist 8.66715 13.3005 9.50322 17.5205 9.22661 10.2948 numMergedOcc 0
30 mol 133 unq 3 iso 0 dist 8.66715 13.3005 9.50322 15.4908 7.56378 11.6924 numMergedOcc 0
31 mol 133 unq 4 iso 0 dist 8.95433 15.4773 9.50322 13.7968 9.22232 16.7326 numMergedOcc 0
32 mol 133 unq 5 iso 0 dist 8.95433 15.4773 9.50322 12.0166 9.22661 10.2948 numMergedOcc 0
33 mol 133 unq 6 iso 0 dist 8.95433 15.4773 9.50322 5.14992 7.56378 11.6924 numMergedOcc 0
34 mol 163 unq 0 iso 0 dist 7.75045 4.49316 9.63873 3.98078 9.07943 6.09134 numMergedOcc 0
35 mol 176 unq 0 iso 0 dist 8.78509 13.7707 7.30954 5.41751 7.33273 13.8868 numMergedOcc 0
36 mol 181 unq 0 iso 0 dist 6.09874 14.0799 9.58911 5.06341 6.22122 12.0718 numMergedOcc 0
37 mol 195 unq 0 iso 0 dist 7.39185 5.39526 7.63036 6.35777 7.36683 7.14066 numMergedOcc 0
38 mol 195 unq 1 iso 0 dist 7.39185 5.39526 7.63036 8.75868 6.95086 4.58275 numMergedOcc 0
39 mol 195 unq 2 iso 0 dist 4.78641 8.94388 7.63036 6.31156 7.36683 7.14066 numMergedOcc 0
40 mol 195 unq 3 iso 0 dist 4.78641 8.94388 7.63036 10.4127 6.95086 4.58275 numMergedOcc 0
41 mol 196 unq 0 iso 0 dist 9.36732 5.01554 8.79558 9.71153 6.86319 11.4857 numMergedOcc 0
42 mol 235 unq 0 iso 0 dist 7.8128 12.3178 9.11256 12.5723 9.55668 3.93066 numMergedOcc 0
43 mol 235 unq 1 iso 0 dist 7.8128 4.27313 7.08539 12.5723 9.55668 13.0408 numMergedOcc 0
44 mol 236 unq 0 iso 0 dist 7.49412 10.8749 7.89744 6.4298 7.1686 5.55311 numMergedOcc 0
45 mol 236 unq 1 iso 0 dist 7.49412 7.38199 8.6417 6.4298 7.1686 4.28296 numMergedOcc 0
46 mol 237 unq 0 iso 0 dist 9.59483 13.1097 8.56463 14.3756 6.99315 5.32535 numMergedOcc 0
47 mol 237 unq 1 iso 0 dist 9.59483 18.3553 9.42743 14.3756 6.99315 11.5107 numMergedOcc 0
48 mol 237 unq 2 iso 0 dist 8.42717 11.2515 8.56463 8.63433 6.99315 5.32535 numMergedOcc 0
49 mol 237 unq 3 iso 0 dist 8.42717 6.24855 9.42743 8.63433 6.99315 11.5107 numMergedOcc 0
50 mol 239 unq 0 iso 0 dist 8.82778 12.0443 6.44212 15.4125 8.84636 8.28901 numMergedOcc 0
51 mol 241 unq 0 iso 0 dist 8.23536 9.23513 9.10633 4.45211 7.89524 4.85571 numMergedOcc 0
52 mol 241 unq 1 iso 0 dist 6.90245 3.92006 9.10633 5.69979 7.89524 4.85571 numMergedOcc 0
53 mol 251 unq 0 iso 0 dist 9.70918 6.79021 8.39644 4.92061 8.68707 4.01393 numMergedOcc 0
54 mol 264 unq 0 iso 0 dist 7.37999 9.36659 8.43858 10.9458 7.16853 4.29482 numMergedOcc 0
55 mol 264 unq 1 iso 0 dist 7.36703 6.52963 8.43858 6.24807 7.16853 4.29482 numMergedOcc 0
