0 mol 12 unq 0 iso 0 dist 5.25583 4.12573 6.6691 5.83262 9.23807 4.25774 numMergedOcc 0
1 mol 12 unq 0 iso 1 dist 5.25583 5.83262 9.23807 4.12573 6.6691 4.25774 numMergedOcc 0
2 mol 12 unq 1 iso 0 dist 5.25583 4.12573 6.6691 10.5333 9.52857 13.5371 numMergedOcc 0
3 mol 12 unq 1 iso 1 dist 5.25583 10.5333 9.52857 4.12573 6.6691 13.5371 numMergedOcc 0
4 mol 12 unq 1 iso 0 dist 5.25583 5.83262 9.23807 10.5333 9.52857 13.0686 numMergedOcc 0
5 mol 12 unq 1 iso 1 dist 5.25583 10.5333 9.52857 5.83262 9.23807 13.0686 numMergedOcc 0
6 mol 79 unq 0 iso 0 dist 6.00684 6.0425 5.72627 11.8739 7.68741 6.70789 numMergedOcc 0
7 mol 79 unq 0 iso 1 dist 6.00684 11.8739 7.68741 6.0425 5.72627 6.70789 numMergedOcc 0
8 mol 79 unq 1 iso 0 dist 6.00684 6.0425 5.72627 12.1206 9.86085 7.15067 numMergedOcc 0
9 mol 79 unq 1 iso 1 dist 6.00684 12.1206 9.86085 6.0425 5.72627 7.15067 numMergedOcc 0
10 mol 79 unq 2 iso 0 dist 6.00684 6.0425 5.72627 11.9735 9.76351 7.7277 numMergedOcc 0
11 mol 79 unq 2 iso 1 dist 6.00684 11.9735 9.76351 6.0425 5.72627 7.7277 numMergedOcc 0
12 mol 79 unq 1 iso 0 dist 6.00684 11.8739 7.68741 12.1206 9.86085 5.79604 numMergedOcc 0
13 mol 79 unq 1 iso 1 dist 6.00684 12.1206 9.86085 11.8739 7.68741 5.79604 numMergedOcc 0
14 mol 79 unq 2 iso 0 dist 6.00684 11.8739 7.68741 11.9735 9.76351 7.2005 numMergedOcc 0
15 mol 79 unq 2 iso 1 dist 6.00684 11.9735 9.76351 11.8739 7.68741 7.2005 numMergedOcc 0
16 mol 79 unq 2 iso 0 dist 6.00684 12.1206 9.86085 11.9735 9.76351 11.4869 numMergedOcc 0
17 mol 79 unq 2 iso 1 dist 6.00684 11.9735 9.76351 12.1206 9.86085 11.4869 numMergedOcc 0
18 mol 125 unq 0 iso 0 dist 7.1608 4.18419 9.94322 7.15048 9.7728 4.38093 numMergedOcc 0
19 mol 125 unq 0 iso 1 dist 7.1608 7.15048 9.7728 4.18419 9.94322 4.38093 numMergedOcc 0
20 mol 128 unq 0 iso 0 dist 8.81493 5.41268 9.05678 6.06511 8.73383 10.8727 numMergedOcc 0
21 mol 128 unq 0 iso 1 dist 8.81493 6.06511 8.73383 5.41268 9.05678 10.8727 numMergedOcc 0
22 mol 128 unq 1 iso 0 dist 6.49794 6.78058 9.05678 7.34304 8.73383 10.8727 numMergedOcc 0
23 mol 128 unq 1 iso 1 dist 6.49794 7.34304 8.73383 6.78058 9.05678 10.8727 numMergedOcc 0
24 mol 130 unq 0 iso 0 dist 7.78572 11.3235 7.7461 9.51205 9.53985 6.43265 numMergedOcc 0
25 mol 130 unq 0 iso 1 dist 7.78572 9.51205 9.53985 11.3235 7.7461 6.43265 numMergedOcc 0
26 mol 147 unq 0 iso 0 dist 9.89646 11.7737 7.08651 15.5134 6.78887 5.90967 numMergedOcc 0
27 mol 147 unq 0 iso 1 dist 9.89646 15.5134 6.78887 11.7737 7.08651 5.90967 numMergedOcc 0
28 mol 147 unq 1 iso 0 dist 9.9332 8.8506 7.08651 13.6758 6.78887 5.90967 numMergedOcc 0
29 mol 147 unq 1 iso 1 dist 9.9332 13.6758 6.78887 8.8506 7.08651 5.90967 numMergedOcc 0
30 mol 174 unq 0 iso 0 dist 8.36618 6.07412 8.39178 7.20832 7.54918 4.17687 numMergedOcc 0
31 mol 174 unq 0 iso 1 dist 8.36618 7.20832 7.54918 6.07412 8.39178 4.17687 numMergedOcc 0
32 mol 181 unq 0 iso 0 dist 7.90753 10.5065 9.2933 6.04759 8.77781 9.53592 numMergedOcc 0
33 mol 181 unq 0 iso 1 dist 7.90753 6.04759 8.77781 10.5065 9.2933 9.53592 numMergedOcc 0
34 mol 192 unq 0 iso 0 dist 8.27545 5.97774 8.29166 15.3045 8.14859 13.9837 numMergedOcc 0
35 mol 192 unq 0 iso 1 dist 8.27545 15.3045 8.14859 5.97774 8.29166 13.9837 numMergedOcc 0
36 mol 192 unq 1 iso 0 dist 8.27545 5.97774 8.29166 11.5774 5.62421 9.92978 numMergedOcc 0
37 mol 192 unq 1 iso 1 dist 8.27545 11.5774 5.62421 5.97774 8.29166 9.92978 numMergedOcc 0
38 mol 192 unq 1 iso 0 dist 8.27545 15.3045 8.14859 11.5774 5.62421 4.20321 numMergedOcc 0
39 mol 192 unq 1 iso 1 dist 8.27545 11.5774 5.62421 15.3045 8.14859 4.20321 numMergedOcc 0
40 mol 239 unq 0 iso 0 dist 6.70738 8.9959 8.99609 6.56772 8.09656 7.79338 numMergedOcc 0
41 mol 239 unq 0 iso 1 dist 6.70738 6.56772 8.09656 8.9959 8.99609 7.79338 numMergedOcc 0
42 mol 239 unq 1 iso 0 dist 8.55314 12.8119 8.99609 10.0385 8.09656 7.79338 numMergedOcc 0
43 mol 239 unq 1 iso 1 dist 8.55314 10.0385 8.09656 12.8119 8.99609 7.79338 numMergedOcc 0
