0 mol 41 unq 0 iso 0 dist 9.95913 9.76064 9.75377 5.2891 6.75602 10.3589 numMergedOcc 0
1 mol 41 unq 0 iso 1 dist 9.95913 5.2891 6.75602 9.76064 9.75377 10.3589 numMergedOcc 0
2 mol 56 unq 0 iso 0 dist 7.96214 13.6612 9.06142 11.9413 8.41264 6.73667 numMergedOcc 0
3 mol 56 unq 0 iso 1 dist 7.96214 11.9413 8.41264 13.6612 9.06142 6.73667 numMergedOcc 0
4 mol 67 unq 0 iso 0 dist 9.67476 12.9986 8.27009 4.85065 5.80736 8.61446 numMergedOcc 0
5 mol 67 unq 0 iso 1 dist 9.67476 4.85065 5.80736 12.9986 8.27009 8.61446 numMergedOcc 0
6 mol 67 unq 1 iso 0 dist 9.77899 11.9395 7.51967 8.81994 6.04303 4.29326 numMergedOcc 0
7 mol 67 unq 1 iso 1 dist 9.77899 8.81994 6.04303 11.9395 7.51967 4.29326 numMergedOcc 0
8 mol 67 unq 2 iso 0 dist 9.77899 11.9395 7.51967 4.89257 7.15248 11.9277 numMergedOcc 0
9 mol 67 unq 2 iso 1 dist 9.77899 4.89257 7.15248 11.9395 7.51967 11.9277 numMergedOcc 0
10 mol 67 unq 2 iso 0 dist 9.77899 8.81994 6.04303 4.89257 7.15248 9.42543 numMergedOcc 0
11 mol 67 unq 2 iso 1 dist 9.77899 4.89257 7.15248 8.81994 6.04303 9.42543 numMergedOcc 0
12 mol 67 unq 3 iso 0 dist 9.10105 8.81994 6.12267 4.89257 8.43162 9.42543 numMergedOcc 0
13 mol 67 unq 3 iso 1 dist 9.10105 4.89257 8.43162 8.81994 6.12267 9.42543 numMergedOcc 0
14 mol 73 unq 0 iso 0 dist 7.37476 4.49648 7.48556 4.50556 9.47045 8.96403 numMergedOcc 0
15 mol 73 unq 0 iso 1 dist 7.37476 4.50556 9.47045 4.49648 7.48556 8.96403 numMergedOcc 0
16 mol 73 unq 1 iso 0 dist 7.37476 4.49648 7.48556 4.53367 8.68218 7.99821 numMergedOcc 0
17 mol 73 unq 1 iso 1 dist 7.37476 4.53367 8.68218 4.49648 7.48556 7.99821 numMergedOcc 0
18 mol 73 unq 1 iso 0 dist 7.37476 4.50556 9.47045 4.53367 8.68218 4.84196 numMergedOcc 0
19 mol 73 unq 1 iso 1 dist 7.37476 4.53367 8.68218 4.50556 9.47045 4.84196 numMergedOcc 0
20 mol 189 unq 0 iso 0 dist 8.51507 6.00118 9.95686 5.48787 9.47321 10.4321 numMergedOcc 0
21 mol 189 unq 0 iso 1 dist 8.51507 5.48787 9.47321 6.00118 9.95686 10.4321 numMergedOcc 0
22 mol 205 unq 0 iso 0 dist 6.73513 7.90201 4.81837 11.9426 6.43519 9.98031 numMergedOcc 0
23 mol 205 unq 0 iso 1 dist 6.73513 11.9426 6.43519 7.90201 4.81837 9.98031 numMergedOcc 0
24 mol 220 unq 0 iso 0 dist 9.64006 17.9836 9.89039 4.47683 8.57174 15.5559 numMergedOcc 0
25 mol 220 unq 0 iso 1 dist 9.64006 4.47683 8.57174 17.9836 9.89039 15.5559 numMergedOcc 0
26 mol 224 unq 0 iso 0 dist 9.02319 6.67297 7.11741 7.49843 8.8113 6.8368 numMergedOcc 0
27 mol 224 unq 0 iso 1 dist 9.02319 7.49843 8.8113 6.67297 7.11741 6.8368 numMergedOcc 0
28 mol 239 unq 0 iso 0 dist 7.04478 8.30658 9.01071 11.481 8.86185 15.9311 numMergedOcc 0
29 mol 239 unq 0 iso 1 dist 7.04478 11.481 8.86185 8.30658 9.01071 15.9311 numMergedOcc 0
30 mol 245 unq 0 iso 0 dist 5.70624 4.95438 9.96585 5.42329 7.27022 5.15551 numMergedOcc 0
31 mol 245 unq 0 iso 1 dist 5.70624 5.42329 7.27022 4.95438 9.96585 5.15551 numMergedOcc 0
32 mol 245 unq 1 iso 0 dist 5.70624 4.95438 9.96585 12.1537 7.95061 14.3262 numMergedOcc 0
33 mol 245 unq 1 iso 1 dist 5.70624 12.1537 7.95061 4.95438 9.96585 14.3262 numMergedOcc 0
34 mol 245 unq 1 iso 0 dist 5.70624 5.42329 7.27022 12.1537 7.95061 9.67137 numMergedOcc 0
35 mol 245 unq 1 iso 1 dist 5.70624 12.1537 7.95061 5.42329 7.27022 9.67137 numMergedOcc 0
36 mol 266 unq 0 iso 0 dist 9.51286 8.13583 9.0836 4.80695 9.62494 5.40028 numMergedOcc 0
37 mol 266 unq 0 iso 1 dist 9.51286 4.80695 9.62494 8.13583 9.0836 5.40028 numMergedOcc 0
