0 mol 5 unq 0 iso 0 dist 6.84403 5.18743 3.50411 6.46777 7.64769 8.68577 numMergedOcc 0
1 mol 5 unq 0 iso 1 dist 5.18743 6.84403 3.50411 6.46777 8.68577 7.64769 numMergedOcc 0
2 mol 5 unq 1 iso 0 dist 6.84403 5.18743 3.50411 3.82801 8.31759 8.13672 numMergedOcc 0
3 mol 5 unq 1 iso 1 dist 5.18743 6.84403 3.50411 3.82801 8.13672 8.31759 numMergedOcc 0
4 mol 28 unq 0 iso 0 dist 6.14086 6.31487 3.70336 6.82151 8.53424 7.08766 numMergedOcc 0
5 mol 28 unq 0 iso 1 dist 6.31487 6.14086 3.70336 6.82151 7.08766 8.53424 numMergedOcc 0
6 mol 28 unq 1 iso 0 dist 6.14086 7.07851 5.1533 6.82151 8.53424 4.82199 numMergedOcc 0
7 mol 28 unq 1 iso 1 dist 7.07851 6.14086 5.1533 6.82151 4.82199 8.53424 numMergedOcc 0
8 mol 28 unq 2 iso 0 dist 6.76158 7.423 3.70336 4.3475 8.53424 7.08766 numMergedOcc 0
9 mol 28 unq 2 iso 1 dist 7.423 6.76158 3.70336 4.3475 7.08766 8.53424 numMergedOcc 0
10 mol 28 unq 3 iso 0 dist 6.76158 5.89257 5.1533 4.3475 8.53424 4.82199 numMergedOcc 0
11 mol 28 unq 3 iso 1 dist 5.89257 6.76158 5.1533 4.3475 4.82199 8.53424 numMergedOcc 0
12 mol 28 unq 1 iso 0 dist 6.31487 7.07851 3.0988 6.82151 7.08766 4.82199 numMergedOcc 0
13 mol 28 unq 1 iso 1 dist 7.07851 6.31487 3.0988 6.82151 4.82199 7.08766 numMergedOcc 0
14 mol 28 unq 3 iso 0 dist 7.423 5.89257 3.0988 4.3475 7.08766 4.82199 numMergedOcc 0
15 mol 28 unq 3 iso 1 dist 5.89257 7.423 3.0988 4.3475 4.82199 7.08766 numMergedOcc 0
16 mol 76 unq 0 iso 0 dist 8.26805 9.68577 6.98219 6.27527 7.66068 9.5043 numMergedOcc 0
17 mol 76 unq 0 iso 1 dist 9.68577 8.26805 6.98219 6.27527 9.5043 7.66068 numMergedOcc 0
18 mol 85 unq 0 iso 0 dist 7.61514 8.21116 2.58673 10.8634 6.67137 7.04244 numMergedOcc 0
19 mol 85 unq 0 iso 1 dist 8.21116 7.61514 2.58673 10.8634 7.04244 6.67137 numMergedOcc 0
20 mol 85 unq 1 iso 0 dist 7.61514 8.21116 2.58673 15.0522 9.78707 9.63449 numMergedOcc 0
21 mol 85 unq 1 iso 1 dist 8.21116 7.61514 2.58673 15.0522 9.63449 9.78707 numMergedOcc 0
22 mol 113 unq 0 iso 0 dist 6.38269 7.11196 2.75715 10.3017 5.31126 7.16619 numMergedOcc 0
23 mol 113 unq 0 iso 1 dist 7.11196 6.38269 2.75715 10.3017 7.16619 5.31126 numMergedOcc 0
24 mol 113 unq 1 iso 0 dist 6.38269 7.11196 2.75715 10.3632 4.49669 5.88896 numMergedOcc 0
25 mol 113 unq 1 iso 1 dist 7.11196 6.38269 2.75715 10.3632 5.88896 4.49669 numMergedOcc 0
26 mol 120 unq 0 iso 0 dist 8.31527 7.64841 5.26524 5.79975 7.84207 6.98791 numMergedOcc 0
27 mol 120 unq 0 iso 1 dist 7.64841 8.31527 5.26524 5.79975 6.98791 7.84207 numMergedOcc 0
28 mol 186 unq 0 iso 0 dist 7.82717 8.19926 6.13455 4.32488 4.87942 7.25595 numMergedOcc 0
29 mol 186 unq 0 iso 1 dist 8.19926 7.82717 6.13455 4.32488 7.25595 4.87942 numMergedOcc 0
30 mol 194 unq 0 iso 0 dist 8.10451 6.6747 3.78714 11.2635 5.10542 4.68722 numMergedOcc 0
31 mol 194 unq 0 iso 1 dist 6.6747 8.10451 3.78714 11.2635 4.68722 5.10542 numMergedOcc 0
32 mol 266 unq 0 iso 0 dist 6.9943 7.36685 5.76129 4.58167 6.96692 8.25286 numMergedOcc 0
33 mol 266 unq 0 iso 1 dist 7.36685 6.9943 5.76129 4.58167 8.25286 6.96692 numMergedOcc 0
34 mol 266 unq 1 iso 0 dist 6.9943 9.03099 8.75066 4.58167 6.96692 9.9965 numMergedOcc 0
35 mol 266 unq 1 iso 1 dist 9.03099 6.9943 8.75066 4.58167 9.9965 6.96692 numMergedOcc 0
36 mol 266 unq 1 iso 0 dist 7.36685 9.03099 3.00605 7.98379 7.8598 7.80711 numMergedOcc 0
37 mol 266 unq 1 iso 1 dist 9.03099 7.36685 3.00605 7.98379 7.80711 7.8598 numMergedOcc 0
38 mol 266 unq 2 iso 0 dist 7.36685 9.03099 3.00605 4.58167 8.25286 9.9965 numMergedOcc 0
39 mol 266 unq 2 iso 1 dist 9.03099 7.36685 3.00605 4.58167 9.9965 8.25286 numMergedOcc 0
40 mol 281 unq 0 iso 0 dist 8.78416 9.22428 3.77058 10.564 6.69267 6.56886 numMergedOcc 0
41 mol 281 unq 0 iso 1 dist 9.22428 8.78416 3.77058 10.564 6.56886 6.69267 numMergedOcc 0
