0 mol 46 unq 0 iso 0 dist 9.2044 8.37969 5.37608 4.19866 9.98353 11.2009 numMergedOcc 0
1 mol 51 unq 0 iso 0 dist 4.97772 5.67627 5.27155 5.46557 6.50216 7.12423 numMergedOcc 0
2 mol 54 unq 0 iso 0 dist 9.90537 7.89001 11.9881 6.13818 5.01162 11.0361 numMergedOcc 0
3 mol 56 unq 0 iso 0 dist 7.6585 7.59663 5.47911 13.2331 9.60995 14.8771 numMergedOcc 0
4 mol 68 unq 0 iso 0 dist 8.56621 9.74289 7.1369 3.95228 6.88786 7.51075 numMergedOcc 0
5 mol 70 unq 0 iso 0 dist 8.85917 9.08867 10.995 8.11301 8.92255 10.6874 numMergedOcc 0
6 mol 70 unq 1 iso 0 dist 9.87633 9.08867 13.3187 9.04858 9.73488 13.6332 numMergedOcc 0
7 mol 73 unq 0 iso 0 dist 5.60664 7.28058 4.49951 7.70943 9.87177 8.06168 numMergedOcc 0
8 mol 73 unq 1 iso 0 dist 5.60664 7.28058 4.49951 3.98918 6.70925 8.67532 numMergedOcc 0
9 mol 73 unq 2 iso 0 dist 5.60664 7.28058 4.49951 8.5233 8.95756 11.9045 numMergedOcc 0
10 mol 76 unq 0 iso 0 dist 8.99189 5.17291 5.31439 3.98395 9.06225 7.47794 numMergedOcc 0
11 mol 76 unq 1 iso 0 dist 8.94097 8.81569 5.31439 10.3277 9.06225 7.47794 numMergedOcc 0
12 mol 101 unq 0 iso 0 dist 5.58941 8.23251 4.79998 4.58154 5.5199 9.90517 numMergedOcc 0
13 mol 101 unq 1 iso 0 dist 5.58941 7.42893 5.16122 4.58154 5.5199 5.22543 numMergedOcc 0
14 mol 232 unq 0 iso 0 dist 7.38809 6.94983 13.6402 4.69185 6.11539 11.3046 numMergedOcc 0
15 mol 232 unq 1 iso 0 dist 7.38809 6.94983 13.6402 12.5532 9.71082 17.5091 numMergedOcc 0
16 mol 234 unq 0 iso 0 dist 6.05991 6.0328 4.67725 11.0483 9.36753 11.1688 numMergedOcc 0
17 mol 249 unq 0 iso 0 dist 7.34573 9.0157 13.2709 8.05633 7.279 12.8391 numMergedOcc 0
18 mol 249 unq 1 iso 0 dist 7.34573 9.0157 13.2709 6.09778 8.43448 12.9036 numMergedOcc 0
19 mol 249 unq 2 iso 0 dist 7.34573 9.14351 9.82483 8.05633 7.279 6.37672 numMergedOcc 0
20 mol 249 unq 3 iso 0 dist 7.34573 9.14351 9.82483 6.09778 8.43448 8.94023 numMergedOcc 0
21 mol 257 unq 0 iso 0 dist 6.82161 8.99981 10.0383 6.83442 9.02271 15.5691 numMergedOcc 0
22 mol 257 unq 1 iso 0 dist 6.82161 6.50405 5.86413 6.83442 9.02271 12.0446 numMergedOcc 0
23 mol 264 unq 0 iso 0 dist 5.11475 6.66602 5.11257 10.4615 8.05522 12.5282 numMergedOcc 0
24 mol 264 unq 1 iso 0 dist 5.11475 6.66602 5.11257 9.34577 9.8799 6.83408 numMergedOcc 0
25 mol 294 unq 0 iso 0 dist 7.64578 6.45955 5.25596 5.90162 9.86356 10.6802 numMergedOcc 0
26 mol 294 unq 1 iso 0 dist 7.64578 8.86937 5.28447 5.90162 9.86356 10.4125 numMergedOcc 0
27 mol 294 unq 2 iso 0 dist 5.85292 5.71661 5.25596 8.68297 9.86356 10.6802 numMergedOcc 0
28 mol 294 unq 3 iso 0 dist 5.85292 8.98536 5.28447 8.68297 9.86356 10.4125 numMergedOcc 0
29 mol 294 unq 4 iso 0 dist 6.28096 6.45955 9.87129 5.90162 6.42303 10.6802 numMergedOcc 0
30 mol 294 unq 5 iso 0 dist 6.28096 8.86937 10.5605 5.90162 6.42303 10.4125 numMergedOcc 0
