0 mol 25 unq 0 iso 0 dist 8.00738 11.2749 8.6653 4.96681 7.92503 10.6808 numMergedOcc 0
1 mol 25 unq 0 iso 1 dist 8.00738 4.96681 7.92503 11.2749 8.6653 10.6808 numMergedOcc 0
2 mol 92 unq 0 iso 0 dist 6.48163 11.5195 5.9465 11.5567 6.97962 5.04493 numMergedOcc 0
3 mol 92 unq 0 iso 1 dist 6.48163 11.5567 6.97962 11.5195 5.9465 5.04493 numMergedOcc 0
4 mol 92 unq 1 iso 0 dist 6.48163 11.5195 5.9465 10.743 9.95342 9.35561 numMergedOcc 0
5 mol 92 unq 1 iso 1 dist 6.48163 10.743 9.95342 11.5195 5.9465 9.35561 numMergedOcc 0
6 mol 92 unq 1 iso 0 dist 6.48163 11.5567 6.97962 10.743 9.95342 12.7769 numMergedOcc 0
7 mol 92 unq 1 iso 1 dist 6.48163 10.743 9.95342 11.5567 6.97962 12.7769 numMergedOcc 0
8 mol 98 unq 0 iso 0 dist 8.48678 13.9683 6.7117 11.0642 4.47349 8.40073 numMergedOcc 0
9 mol 98 unq 0 iso 1 dist 8.48678 11.0642 4.47349 13.9683 6.7117 8.40073 numMergedOcc 0
10 mol 98 unq 1 iso 0 dist 8.48678 13.9683 6.7117 7.71768 5.65185 10.2427 numMergedOcc 0
11 mol 98 unq 1 iso 1 dist 8.48678 7.71768 5.65185 13.9683 6.7117 10.2427 numMergedOcc 0
12 mol 98 unq 1 iso 0 dist 8.48678 11.0642 4.47349 7.71768 5.65185 5.02887 numMergedOcc 0
13 mol 98 unq 1 iso 1 dist 8.48678 7.71768 5.65185 11.0642 4.47349 5.02887 numMergedOcc 0
14 mol 100 unq 0 iso 0 dist 7.1754 7.77542 7.80975 11.0907 7.10378 10.8586 numMergedOcc 0
15 mol 100 unq 0 iso 1 dist 7.1754 11.0907 7.10378 7.77542 7.80975 10.8586 numMergedOcc 0
16 mol 115 unq 0 iso 0 dist 5.9575 6.23018 6.92026 5.14332 5.88249 6.5838 numMergedOcc 0
17 mol 115 unq 0 iso 1 dist 5.9575 5.14332 5.88249 6.23018 6.92026 6.5838 numMergedOcc 0
18 mol 115 unq 1 iso 0 dist 5.9575 6.23018 6.92026 5.28643 6.97707 10.5564 numMergedOcc 0
19 mol 115 unq 1 iso 1 dist 5.9575 5.28643 6.97707 6.23018 6.92026 10.5564 numMergedOcc 0
20 mol 115 unq 1 iso 0 dist 5.9575 5.14332 5.88249 5.28643 6.97707 5.67807 numMergedOcc 0
21 mol 115 unq 1 iso 1 dist 5.9575 5.28643 6.97707 5.14332 5.88249 5.67807 numMergedOcc 0
22 mol 130 unq 0 iso 0 dist 6.87196 5.25879 8.78276 5.26656 7.88805 4.5207 numMergedOcc 0
23 mol 130 unq 0 iso 1 dist 6.87196 5.26656 7.88805 5.25879 8.78276 4.5207 numMergedOcc 0
24 mol 130 unq 1 iso 0 dist 6.87196 5.25879 8.78276 10.9365 7.96646 8.38345 numMergedOcc 0
25 mol 130 unq 1 iso 1 dist 6.87196 10.9365 7.96646 5.25879 8.78276 8.38345 numMergedOcc 0
26 mol 130 unq 2 iso 0 dist 6.87196 5.25879 8.78276 10.6181 7.90048 10.5137 numMergedOcc 0
27 mol 130 unq 2 iso 1 dist 6.87196 10.6181 7.90048 5.25879 8.78276 10.5137 numMergedOcc 0
28 mol 130 unq 1 iso 0 dist 6.87196 5.26656 7.88805 10.9365 7.96646 10.0969 numMergedOcc 0
29 mol 130 unq 1 iso 1 dist 6.87196 10.9365 7.96646 5.26656 7.88805 10.0969 numMergedOcc 0
30 mol 130 unq 2 iso 0 dist 6.87196 5.26656 7.88805 10.6181 7.90048 7.01619 numMergedOcc 0
31 mol 130 unq 2 iso 1 dist 6.87196 10.6181 7.90048 5.26656 7.88805 7.01619 numMergedOcc 0
32 mol 130 unq 2 iso 0 dist 6.87196 10.9365 7.96646 10.6181 7.90048 10.7116 numMergedOcc 0
33 mol 130 unq 2 iso 1 dist 6.87196 10.6181 7.90048 10.9365 7.96646 10.7116 numMergedOcc 0
34 mol 156 unq 0 iso 0 dist 6.10069 5.84808 6.30021 9.92385 9.47433 5.76755 numMergedOcc 0
35 mol 156 unq 0 iso 1 dist 6.10069 9.92385 9.47433 5.84808 6.30021 5.76755 numMergedOcc 0
36 mol 156 unq 1 iso 0 dist 6.40435 11.0374 9.44367 9.75709 7.90267 5.56175 numMergedOcc 0
37 mol 156 unq 1 iso 1 dist 6.40435 9.75709 7.90267 11.0374 9.44367 5.56175 numMergedOcc 0
38 mol 226 unq 0 iso 0 dist 6.82883 12.6212 8.80683 10.78 6.11704 5.16662 numMergedOcc 0
39 mol 226 unq 0 iso 1 dist 6.82883 10.78 6.11704 12.6212 8.80683 5.16662 numMergedOcc 0
40 mol 226 unq 1 iso 0 dist 8.22518 9.83787 8.80683 11.3247 6.11704 5.16662 numMergedOcc 0
41 mol 226 unq 1 iso 1 dist 8.22518 11.3247 6.11704 9.83787 8.80683 5.16662 numMergedOcc 0
42 mol 226 unq 2 iso 0 dist 6.02803 6.6871 8.80683 6.19485 6.11704 5.16662 numMergedOcc 0
43 mol 226 unq 2 iso 1 dist 6.02803 6.19485 6.11704 6.6871 8.80683 5.16662 numMergedOcc 0
44 mol 227 unq 0 iso 0 dist 9.90065 9.69354 7.43071 7.00512 6.02296 4.39704 numMergedOcc 0
45 mol 227 unq 0 iso 1 dist 9.90065 7.00512 6.02296 9.69354 7.43071 4.39704 numMergedOcc 0
46 mol 238 unq 0 iso 0 dist 8.52162 11.6549 8.94014 12.9109 7.02333 5.6348 numMergedOcc 0
47 mol 238 unq 0 iso 1 dist 8.52162 12.9109 7.02333 11.6549 8.94014 5.6348 numMergedOcc 0
48 mol 238 unq 1 iso 0 dist 8.52162 11.6549 8.94014 12.3128 8.67864 8.87326 numMergedOcc 0
49 mol 238 unq 1 iso 1 dist 8.52162 12.3128 8.67864 11.6549 8.94014 8.87326 numMergedOcc 0
50 mol 238 unq 1 iso 0 dist 8.52162 12.9109 7.02333 12.3128 8.67864 5.31152 numMergedOcc 0
51 mol 238 unq 1 iso 1 dist 8.52162 12.3128 8.67864 12.9109 7.02333 5.31152 numMergedOcc 0
52 mol 271 unq 0 iso 0 dist 8.7861 13.7565 8.98576 8.68222 8.92636 7.04094 numMergedOcc 0
53 mol 271 unq 0 iso 1 dist 8.7861 8.68222 8.92636 13.7565 8.98576 7.04094 numMergedOcc 0
