0 mol 24 unq 0 iso 0 dist 7.40392 8.92687 8.4051 13.278 8.23446 14.1082 numMergedOcc 0
1 mol 24 unq 0 iso 1 dist 7.40392 13.278 8.23446 8.92687 8.4051 14.1082 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 7.40392 8.92687 8.4051 5.12527 8.75662 9.62033 numMergedOcc 0
3 mol 24 unq 1 iso 1 dist 7.40392 5.12527 8.75662 8.92687 8.4051 9.62033 numMergedOcc 0
4 mol 24 unq 1 iso 0 dist 7.40392 13.278 8.23446 5.12527 8.75662 11.342 numMergedOcc 0
5 mol 24 unq 1 iso 1 dist 7.40392 5.12527 8.75662 13.278 8.23446 11.342 numMergedOcc 0
6 mol 25 unq 0 iso 0 dist 8.94828 6.84017 6.16347 15.5398 7.92503 12.7398 numMergedOcc 0
7 mol 25 unq 0 iso 1 dist 8.94828 15.5398 7.92503 6.84017 6.16347 12.7398 numMergedOcc 0
8 mol 54 unq 0 iso 0 dist 6.72872 9.96083 7.07339 7.03665 7.23317 4.69259 numMergedOcc 0
9 mol 54 unq 0 iso 1 dist 6.72872 7.03665 7.23317 9.96083 7.07339 4.69259 numMergedOcc 0
10 mol 92 unq 0 iso 0 dist 9.96446 15.5614 8.18107 8.51558 5.9465 9.38827 numMergedOcc 0
11 mol 92 unq 0 iso 1 dist 9.96446 8.51558 5.9465 15.5614 8.18107 9.38827 numMergedOcc 0
12 mol 92 unq 1 iso 0 dist 6.70686 15.5614 9.8859 8.51558 6.97962 9.38827 numMergedOcc 0
13 mol 92 unq 1 iso 1 dist 6.70686 8.51558 6.97962 15.5614 9.8859 9.38827 numMergedOcc 0
14 mol 92 unq 2 iso 0 dist 9.8079 13.832 6.95572 15.33 7.38677 6.36037 numMergedOcc 0
15 mol 92 unq 2 iso 1 dist 9.8079 15.33 7.38677 13.832 6.95572 6.36037 numMergedOcc 0
16 mol 92 unq 3 iso 0 dist 8.3558 10.2731 6.95572 4.66752 7.38677 6.36037 numMergedOcc 0
17 mol 92 unq 3 iso 1 dist 8.3558 4.66752 7.38677 10.2731 6.95572 6.36037 numMergedOcc 0
18 mol 122 unq 0 iso 0 dist 8.47907 10.577 8.88537 6.9595 9.23819 5.03547 numMergedOcc 0
19 mol 122 unq 0 iso 1 dist 8.47907 6.9595 9.23819 10.577 8.88537 5.03547 numMergedOcc 0
20 mol 126 unq 0 iso 0 dist 7.02525 7.05454 6.29233 4.95023 5.42406 4.32209 numMergedOcc 0
21 mol 126 unq 0 iso 1 dist 7.02525 4.95023 5.42406 7.05454 6.29233 4.32209 numMergedOcc 0
22 mol 133 unq 0 iso 0 dist 8.66715 5.05981 9.22232 17.5205 9.22661 18.2432 numMergedOcc 0
23 mol 133 unq 0 iso 1 dist 8.66715 17.5205 9.22661 5.05981 9.22232 18.2432 numMergedOcc 0
24 mol 133 unq 1 iso 0 dist 8.66715 5.05981 9.22232 15.4908 7.56378 15.4484 numMergedOcc 0
25 mol 133 unq 1 iso 1 dist 8.66715 15.4908 7.56378 5.05981 9.22232 15.4484 numMergedOcc 0
26 mol 133 unq 1 iso 0 dist 8.66715 17.5205 9.22661 15.4908 7.56378 7.33253 numMergedOcc 0
27 mol 133 unq 1 iso 1 dist 8.66715 15.4908 7.56378 17.5205 9.22661 7.33253 numMergedOcc 0
28 mol 133 unq 2 iso 0 dist 8.95433 13.7968 9.22232 12.0166 9.22661 18.2432 numMergedOcc 0
29 mol 133 unq 2 iso 1 dist 8.95433 12.0166 9.22661 13.7968 9.22232 18.2432 numMergedOcc 0
30 mol 133 unq 3 iso 0 dist 8.95433 13.7968 9.22232 5.14992 7.56378 15.4484 numMergedOcc 0
31 mol 133 unq 3 iso 1 dist 8.95433 5.14992 7.56378 13.7968 9.22232 15.4484 numMergedOcc 0
32 mol 133 unq 3 iso 0 dist 8.95433 12.0166 9.22661 5.14992 7.56378 7.33253 numMergedOcc 0
33 mol 133 unq 3 iso 1 dist 8.95433 5.14992 7.56378 12.0166 9.22661 7.33253 numMergedOcc 0
34 mol 181 unq 0 iso 0 dist 9.74465 5.03999 6.46704 13.5125 6.59025 9.87773 numMergedOcc 0
35 mol 181 unq 0 iso 1 dist 9.74465 13.5125 6.59025 5.03999 6.46704 9.87773 numMergedOcc 0
36 mol 188 unq 0 iso 0 dist 7.24099 6.5476 7.14503 5.54913 8.10214 9.01338 numMergedOcc 0
37 mol 188 unq 0 iso 1 dist 7.24099 5.54913 8.10214 6.5476 7.14503 9.01338 numMergedOcc 0
38 mol 195 unq 0 iso 0 dist 7.39185 6.35777 7.36683 8.75868 6.95086 9.90317 numMergedOcc 0
39 mol 195 unq 0 iso 1 dist 7.39185 8.75868 6.95086 6.35777 7.36683 9.90317 numMergedOcc 0
40 mol 195 unq 1 iso 0 dist 4.78641 6.31156 7.36683 10.4127 6.95086 9.90317 numMergedOcc 0
41 mol 195 unq 1 iso 1 dist 4.78641 10.4127 6.95086 6.31156 7.36683 9.90317 numMergedOcc 0
42 mol 197 unq 0 iso 0 dist 7.70631 14.5203 7.50013 11.199 5.81233 5.33623 numMergedOcc 0
43 mol 197 unq 0 iso 1 dist 7.70631 11.199 5.81233 14.5203 7.50013 5.33623 numMergedOcc 0
44 mol 197 unq 1 iso 0 dist 7.70631 14.5203 7.50013 12.0358 6.92924 9.20574 numMergedOcc 0
45 mol 197 unq 1 iso 1 dist 7.70631 12.0358 6.92924 14.5203 7.50013 9.20574 numMergedOcc 0
46 mol 197 unq 2 iso 0 dist 7.70631 14.5203 7.50013 7.10431 7.14306 10.8407 numMergedOcc 0
47 mol 197 unq 2 iso 1 dist 7.70631 7.10431 7.14306 14.5203 7.50013 10.8407 numMergedOcc 0
48 mol 197 unq 1 iso 0 dist 7.70631 11.199 5.81233 12.0358 6.92924 11.2132 numMergedOcc 0
49 mol 197 unq 1 iso 1 dist 7.70631 12.0358 6.92924 11.199 5.81233 11.2132 numMergedOcc 0
50 mol 197 unq 2 iso 0 dist 7.70631 11.199 5.81233 7.10431 7.14306 9.56047 numMergedOcc 0
51 mol 197 unq 2 iso 1 dist 7.70631 7.10431 7.14306 11.199 5.81233 9.56047 numMergedOcc 0
52 mol 197 unq 2 iso 0 dist 7.70631 12.0358 6.92924 7.10431 7.14306 8.81358 numMergedOcc 0
53 mol 197 unq 2 iso 1 dist 7.70631 7.10431 7.14306 12.0358 6.92924 8.81358 numMergedOcc 0
54 mol 235 unq 0 iso 0 dist 6.56775 4.88651 6.21292 6.99274 6.95126 10.2834 numMergedOcc 0
55 mol 235 unq 0 iso 1 dist 6.56775 6.99274 6.95126 4.88651 6.21292 10.2834 numMergedOcc 0
56 mol 243 unq 0 iso 0 dist 7.80612 9.85403 8.76935 7.14241 8.47652 4.52689 numMergedOcc 0
57 mol 243 unq 0 iso 1 dist 7.80612 7.14241 8.47652 9.85403 8.76935 4.52689 numMergedOcc 0
