0 mol 93 unq 0 iso 0 dist 5.51624 7.8435 4.97727 5.99269 5.77343 5.21654 numMergedOcc 0
1 mol 93 unq 0 iso 1 dist 5.51624 5.99269 5.77343 7.8435 4.97727 5.21654 numMergedOcc 0
2 mol 93 unq 1 iso 0 dist 5.51624 7.8435 4.97727 5.71763 11.0802 13.3531 numMergedOcc 0
3 mol 93 unq 1 iso 1 dist 5.51624 5.71763 11.0802 7.8435 4.97727 13.3531 numMergedOcc 0
4 mol 93 unq 1 iso 0 dist 5.51624 5.99269 5.77343 5.71763 11.0802 10.7398 numMergedOcc 0
5 mol 93 unq 1 iso 1 dist 5.51624 5.71763 11.0802 5.99269 5.77343 10.7398 numMergedOcc 0
6 mol 93 unq 2 iso 0 dist 7.8674 7.8435 13.8087 5.99269 9.96831 5.21654 numMergedOcc 0
7 mol 93 unq 2 iso 1 dist 7.8674 5.99269 9.96831 7.8435 13.8087 5.21654 numMergedOcc 0
8 mol 93 unq 3 iso 0 dist 7.8674 7.8435 13.8087 5.71763 5.33894 13.3531 numMergedOcc 0
9 mol 93 unq 3 iso 1 dist 7.8674 5.71763 5.33894 7.8435 13.8087 13.3531 numMergedOcc 0
10 mol 93 unq 3 iso 0 dist 7.8674 5.99269 9.96831 5.71763 5.33894 10.7398 numMergedOcc 0
11 mol 93 unq 3 iso 1 dist 7.8674 5.71763 5.33894 5.99269 9.96831 10.7398 numMergedOcc 0
12 mol 119 unq 0 iso 0 dist 8.03035 9.6121 6.71103 9.57341 6.29394 12.7135 numMergedOcc 0
13 mol 119 unq 0 iso 1 dist 8.03035 9.57341 6.29394 9.6121 6.71103 12.7135 numMergedOcc 0
14 mol 119 unq 1 iso 0 dist 7.6968 9.6121 12.4868 9.57341 9.64502 12.7135 numMergedOcc 0
15 mol 119 unq 1 iso 1 dist 7.6968 9.57341 9.64502 9.6121 12.4868 12.7135 numMergedOcc 0
16 mol 140 unq 0 iso 0 dist 6.98813 7.19291 7.10913 6.66504 6.30391 6.09915 numMergedOcc 0
17 mol 140 unq 0 iso 1 dist 6.98813 6.66504 6.30391 7.19291 7.10913 6.09915 numMergedOcc 0
18 mol 143 unq 0 iso 0 dist 5.73236 7.16698 6.55089 8.68663 6.16103 9.42812 numMergedOcc 0
19 mol 143 unq 0 iso 1 dist 5.73236 8.68663 6.16103 7.16698 6.55089 9.42812 numMergedOcc 0
20 mol 186 unq 0 iso 0 dist 8.12349 7.04815 9.57029 6.07389 10.8203 6.05141 numMergedOcc 0
21 mol 186 unq 0 iso 1 dist 8.12349 6.07389 10.8203 7.04815 9.57029 6.05141 numMergedOcc 0
22 mol 194 unq 0 iso 0 dist 5.52678 5.53324 5.28603 6.72182 9.8803 9.10229 numMergedOcc 0
23 mol 194 unq 0 iso 1 dist 5.52678 6.72182 9.8803 5.53324 5.28603 9.10229 numMergedOcc 0
24 mol 194 unq 1 iso 0 dist 9.81666 5.53324 11.0713 6.72182 15.9964 9.10229 numMergedOcc 0
25 mol 194 unq 1 iso 1 dist 9.81666 6.72182 15.9964 5.53324 11.0713 9.10229 numMergedOcc 0
26 mol 225 unq 0 iso 0 dist 6.53728 9.87668 6.35462 8.42121 5.94765 8.05944 numMergedOcc 0
27 mol 225 unq 0 iso 1 dist 6.53728 8.42121 5.94765 9.87668 6.35462 8.05944 numMergedOcc 0
28 mol 225 unq 1 iso 0 dist 6.53728 9.87668 6.35462 7.8744 11.6976 16.7885 numMergedOcc 0
29 mol 225 unq 1 iso 1 dist 6.53728 7.8744 11.6976 9.87668 6.35462 16.7885 numMergedOcc 0
30 mol 225 unq 2 iso 0 dist 6.53728 9.87668 6.35462 4.98402 11.2847 13.7858 numMergedOcc 0
31 mol 225 unq 2 iso 1 dist 6.53728 4.98402 11.2847 9.87668 6.35462 13.7858 numMergedOcc 0
32 mol 225 unq 1 iso 0 dist 6.53728 8.42121 5.94765 7.8744 11.6976 14.5755 numMergedOcc 0
33 mol 225 unq 1 iso 1 dist 6.53728 7.8744 11.6976 8.42121 5.94765 14.5755 numMergedOcc 0
34 mol 225 unq 2 iso 0 dist 6.53728 8.42121 5.94765 4.98402 11.2847 11.2712 numMergedOcc 0
35 mol 225 unq 2 iso 1 dist 6.53728 4.98402 11.2847 8.42121 5.94765 11.2712 numMergedOcc 0
36 mol 225 unq 2 iso 0 dist 6.53728 7.8744 11.6976 4.98402 11.2847 8.90802 numMergedOcc 0
37 mol 225 unq 2 iso 1 dist 6.53728 4.98402 11.2847 7.8744 11.6976 8.90802 numMergedOcc 0
38 mol 250 unq 0 iso 0 dist 9.60364 7.22664 8.9822 7.15762 11.5018 6.74332 numMergedOcc 0
39 mol 250 unq 0 iso 1 dist 9.60364 7.15762 11.5018 7.22664 8.9822 6.74332 numMergedOcc 0
40 mol 260 unq 0 iso 0 dist 8.3149 9.65775 13.067 9.50634 5.38958 17.1683 numMergedOcc 0
41 mol 260 unq 0 iso 1 dist 8.3149 9.50634 5.38958 9.65775 13.067 17.1683 numMergedOcc 0
42 mol 264 unq 0 iso 0 dist 5.74568 6.02757 5.82131 8.67231 9.58444 5.23295 numMergedOcc 0
43 mol 264 unq 0 iso 1 dist 5.74568 8.67231 9.58444 6.02757 5.82131 5.23295 numMergedOcc 0
44 mol 284 unq 0 iso 0 dist 7.97588 9.07503 5.54893 7.63256 3.89435 4.7381 numMergedOcc 0
45 mol 284 unq 0 iso 1 dist 7.97588 7.63256 3.89435 9.07503 5.54893 4.7381 numMergedOcc 0
