0 mol 69 unq 0 iso 0 dist 9.2309 11.9105 9.90199 4.59504 9.74996 14.3033 numMergedOcc 0
1 mol 69 unq 0 iso 1 dist 9.2309 4.59504 9.74996 11.9105 9.90199 14.3033 numMergedOcc 0
2 mol 69 unq 1 iso 0 dist 9.2309 11.9105 9.90199 6.09189 8.21667 9.1127 numMergedOcc 0
3 mol 69 unq 1 iso 1 dist 9.2309 6.09189 8.21667 11.9105 9.90199 9.1127 numMergedOcc 0
4 mol 69 unq 1 iso 0 dist 9.2309 4.59504 9.74996 6.09189 8.21667 10.149 numMergedOcc 0
5 mol 69 unq 1 iso 1 dist 9.2309 6.09189 8.21667 4.59504 9.74996 10.149 numMergedOcc 0
6 mol 73 unq 0 iso 0 dist 8.27446 6.67306 9.68526 14.8739 7.26679 15.7123 numMergedOcc 0
7 mol 73 unq 0 iso 1 dist 8.27446 14.8739 7.26679 6.67306 9.68526 15.7123 numMergedOcc 0
8 mol 73 unq 1 iso 0 dist 8.27446 6.67306 9.68526 8.62642 9.30776 13.7412 numMergedOcc 0
9 mol 73 unq 1 iso 1 dist 8.27446 8.62642 9.30776 6.67306 9.68526 13.7412 numMergedOcc 0
10 mol 73 unq 1 iso 0 dist 8.27446 14.8739 7.26679 8.62642 9.30776 12.016 numMergedOcc 0
11 mol 73 unq 1 iso 1 dist 8.27446 8.62642 9.30776 14.8739 7.26679 12.016 numMergedOcc 0
12 mol 73 unq 2 iso 0 dist 9.76332 6.67306 9.72442 14.9119 9.02288 17.8791 numMergedOcc 0
13 mol 73 unq 2 iso 1 dist 9.76332 14.9119 9.02288 6.67306 9.72442 17.8791 numMergedOcc 0
14 mol 102 unq 0 iso 0 dist 5.15752 5.26061 9.43411 8.90571 9.80678 9.15076 numMergedOcc 0
15 mol 102 unq 0 iso 1 dist 5.15752 8.90571 9.80678 5.26061 9.43411 9.15076 numMergedOcc 0
16 mol 109 unq 0 iso 0 dist 8.35267 10.4339 6.31633 4.91393 7.21115 6.48636 numMergedOcc 0
17 mol 109 unq 0 iso 1 dist 8.35267 4.91393 7.21115 10.4339 6.31633 6.48636 numMergedOcc 0
18 mol 143 unq 0 iso 0 dist 8.32453 5.01665 9.61081 4.9475 5.46922 5.72828 numMergedOcc 0
19 mol 143 unq 0 iso 1 dist 8.32453 4.9475 5.46922 5.01665 9.61081 5.72828 numMergedOcc 0
20 mol 143 unq 1 iso 0 dist 8.13798 14.1743 9.61081 9.53356 5.46922 5.72828 numMergedOcc 0
21 mol 143 unq 1 iso 1 dist 8.13798 9.53356 5.46922 14.1743 9.61081 5.72828 numMergedOcc 0
22 mol 143 unq 2 iso 0 dist 5.25485 13.1697 9.61081 9.28974 5.46922 5.72828 numMergedOcc 0
23 mol 143 unq 2 iso 1 dist 5.25485 9.28974 5.46922 13.1697 9.61081 5.72828 numMergedOcc 0
24 mol 231 unq 0 iso 0 dist 6.00509 6.68357 7.79865 7.6832 6.14348 4.06055 numMergedOcc 0
25 mol 231 unq 0 iso 1 dist 6.00509 7.6832 6.14348 6.68357 7.79865 4.06055 numMergedOcc 0
26 mol 234 unq 0 iso 0 dist 7.62438 5.89263 5.89084 12.6792 8.47009 7.82322 numMergedOcc 0
27 mol 234 unq 0 iso 1 dist 7.62438 12.6792 8.47009 5.89263 5.89084 7.82322 numMergedOcc 0
28 mol 235 unq 0 iso 0 dist 5.47932 14.5622 9.71281 10.5401 9.2433 12.1984 numMergedOcc 0
29 mol 235 unq 0 iso 1 dist 5.47932 10.5401 9.2433 14.5622 9.71281 12.1984 numMergedOcc 0
30 mol 236 unq 0 iso 0 dist 9.86445 10.5925 8.77254 15.0257 9.96976 6.99332 numMergedOcc 0
31 mol 236 unq 0 iso 1 dist 9.86445 15.0257 9.96976 10.5925 8.77254 6.99332 numMergedOcc 0
32 mol 249 unq 0 iso 0 dist 8.05967 7.31764 5.78121 12.5964 7.29898 8.34718 numMergedOcc 0
33 mol 249 unq 0 iso 1 dist 8.05967 12.5964 7.29898 7.31764 5.78121 8.34718 numMergedOcc 0
34 mol 249 unq 1 iso 0 dist 8.75137 10.7823 5.78121 4.24754 7.29898 8.34718 numMergedOcc 0
35 mol 249 unq 1 iso 1 dist 8.75137 4.24754 7.29898 10.7823 5.78121 8.34718 numMergedOcc 0
36 mol 257 unq 0 iso 0 dist 8.71571 7.16436 8.69184 5.85328 8.18901 5.74182 numMergedOcc 0
37 mol 257 unq 0 iso 1 dist 8.71571 5.85328 8.18901 7.16436 8.69184 5.74182 numMergedOcc 0
38 mol 273 unq 0 iso 0 dist 8.24507 12.0564 8.90885 14.7847 9.96963 5.96724 numMergedOcc 0
39 mol 273 unq 0 iso 1 dist 8.24507 14.7847 9.96963 12.0564 8.90885 5.96724 numMergedOcc 0
40 mol 277 unq 0 iso 0 dist 5.73065 8.05749 8.57532 13.2922 9.02914 9.50605 numMergedOcc 0
41 mol 277 unq 0 iso 1 dist 5.73065 13.2922 9.02914 8.05749 8.57532 9.50605 numMergedOcc 0
42 mol 277 unq 1 iso 0 dist 5.73065 8.05749 8.57532 11.9195 6.90434 12.7728 numMergedOcc 0
43 mol 277 unq 1 iso 1 dist 5.73065 11.9195 6.90434 8.05749 8.57532 12.7728 numMergedOcc 0
44 mol 277 unq 1 iso 0 dist 5.73065 13.2922 9.02914 11.9195 6.90434 7.08227 numMergedOcc 0
45 mol 277 unq 1 iso 1 dist 5.73065 11.9195 6.90434 13.2922 9.02914 7.08227 numMergedOcc 0
