0 mol 4 unq 0 iso 0 dist 5.39008 9.97548 10.0612 9.39293 7.29079 17.1122 numMergedOcc 0
1 mol 5 unq 0 iso 0 dist 6.99733 7.88567 5.34991 11.5915 8.64744 13.6585 numMergedOcc 0
2 mol 28 unq 0 iso 0 dist 5.87633 8.42277 6.77926 6.73192 8.51428 13.3428 numMergedOcc 0
3 mol 28 unq 1 iso 0 dist 5.87633 8.42277 6.77926 5.83388 9.28621 8.67077 numMergedOcc 0
4 mol 28 unq 2 iso 0 dist 5.87633 8.46493 3.85555 6.73192 8.51428 12.0072 numMergedOcc 0
5 mol 28 unq 3 iso 0 dist 5.87633 8.46493 3.85555 5.83388 9.28621 10.4857 numMergedOcc 0
6 mol 28 unq 4 iso 0 dist 5.87633 9.70547 9.20102 6.73192 8.51428 15.9138 numMergedOcc 0
7 mol 28 unq 5 iso 0 dist 5.87633 9.70547 9.20102 5.83388 9.28621 11.4557 numMergedOcc 0
8 mol 28 unq 6 iso 0 dist 7.09381 8.42277 6.25611 5.83388 8.36195 8.67077 numMergedOcc 0
9 mol 28 unq 7 iso 0 dist 7.09381 8.46493 9.06695 5.83388 8.36195 10.4857 numMergedOcc 0
10 mol 28 unq 8 iso 0 dist 7.09381 9.70547 4.52079 5.83388 8.36195 11.4557 numMergedOcc 0
11 mol 28 unq 9 iso 0 dist 8.40467 8.91922 9.71507 7.431 8.92334 9.74532 numMergedOcc 0
12 mol 28 unq 10 iso 0 dist 8.48456 8.79638 9.64948 5.61871 5.42412 8.53424 numMergedOcc 0
13 mol 28 unq 11 iso 0 dist 8.48456 8.79638 9.64948 7.3517 8.09862 7.08766 numMergedOcc 0
14 mol 28 unq 12 iso 0 dist 8.48456 8.79638 9.64948 6.13016 8.89114 4.82199 numMergedOcc 0
15 mol 28 unq 13 iso 0 dist 7.24073 6.42785 10.1805 6.51048 8.97167 7.08766 numMergedOcc 0
16 mol 28 unq 14 iso 0 dist 7.24073 6.42785 10.1805 4.18951 8.8182 4.82199 numMergedOcc 0
17 mol 28 unq 15 iso 0 dist 8.99724 5.75809 8.10455 15.0049 8.94643 12.2603 numMergedOcc 0
18 mol 43 unq 0 iso 0 dist 7.62469 9.79386 10.7481 6.1032 6.57978 14.5234 numMergedOcc 0
19 mol 64 unq 0 iso 0 dist 5.45684 9.05343 7.81738 4.80256 8.6701 11.8672 numMergedOcc 0
20 mol 64 unq 1 iso 0 dist 7.76644 7.71528 7.81738 5.13486 8.6701 11.8672 numMergedOcc 0
21 mol 90 unq 0 iso 0 dist 7.94379 8.96446 6.65219 4.28396 7.01987 5.24346 numMergedOcc 0
22 mol 101 unq 0 iso 0 dist 7.11476 6.54699 6.43467 4.80201 8.2549 8.19144 numMergedOcc 0
23 mol 131 unq 0 iso 0 dist 4.56886 7.382 3.82317 7.67738 7.34765 7.53342 numMergedOcc 0
24 mol 141 unq 0 iso 0 dist 8.5614 4.93944 6.1672 4.49266 5.28634 4.88514 numMergedOcc 0
25 mol 147 unq 0 iso 0 dist 9.61 8.92048 3.7035 6.68581 6.42361 3.82583 numMergedOcc 0
26 mol 147 unq 1 iso 0 dist 9.61 8.92048 3.7035 4.60169 7.4121 5.19116 numMergedOcc 0
27 mol 186 unq 0 iso 0 dist 7.6409 7.62945 5.28021 11.1208 8.35588 11.9419 numMergedOcc 0
28 mol 193 unq 0 iso 0 dist 8.71993 6.10013 4.8988 16.1667 9.50113 12.6747 numMergedOcc 0
29 mol 193 unq 1 iso 0 dist 8.71993 6.10013 4.8988 4.40965 9.73679 8.30069 numMergedOcc 0
30 mol 249 unq 0 iso 0 dist 5.70674 5.7671 4.49386 5.63037 9.04147 11.0551 numMergedOcc 0
31 mol 287 unq 0 iso 0 dist 9.24592 7.29668 5.13698 10.326 5.55176 4.68668 numMergedOcc 0
32 mol 288 unq 0 iso 0 dist 9.24592 7.29668 5.13698 10.326 5.55176 4.68668 numMergedOcc 0
33 mol 289 unq 0 iso 0 dist 9.24592 7.29668 5.13698 10.326 5.55176 4.68668 numMergedOcc 0
