0 mol 19 unq 0 iso 0 dist 9.23617 8.6541 8.59114 11.8354 7.48847 5.67097 numMergedOcc 0
1 mol 19 unq 0 iso 1 dist 8.59114 8.6541 9.23617 5.67097 7.48847 11.8354 numMergedOcc 0
2 mol 19 unq 1 iso 0 dist 9.23617 8.6541 8.59114 14.4019 6.92532 14.3476 numMergedOcc 0
3 mol 19 unq 1 iso 1 dist 8.59114 8.6541 9.23617 14.3476 6.92532 14.4019 numMergedOcc 0
4 mol 19 unq 2 iso 0 dist 9.23617 8.6541 8.59114 10.38 6.36455 12.7 numMergedOcc 0
5 mol 19 unq 2 iso 1 dist 8.59114 8.6541 9.23617 12.7 6.36455 10.38 numMergedOcc 0
6 mol 19 unq 3 iso 0 dist 9.23617 13.4477 8.63204 11.8354 7.48847 15.2051 numMergedOcc 0
7 mol 19 unq 3 iso 1 dist 8.63204 13.4477 9.23617 15.2051 7.48847 11.8354 numMergedOcc 0
8 mol 19 unq 4 iso 0 dist 9.23617 13.4477 8.63204 14.4019 6.92532 6.57145 numMergedOcc 0
9 mol 19 unq 4 iso 1 dist 8.63204 13.4477 9.23617 6.57145 6.92532 14.4019 numMergedOcc 0
10 mol 19 unq 5 iso 0 dist 9.23617 13.4477 8.63204 10.38 6.36455 6.01189 numMergedOcc 0
11 mol 19 unq 5 iso 1 dist 8.63204 13.4477 9.23617 6.01189 6.36455 10.38 numMergedOcc 0
12 mol 19 unq 3 iso 0 dist 8.59114 16.76 8.63204 5.67097 7.48847 15.2051 numMergedOcc 0
13 mol 19 unq 3 iso 1 dist 8.63204 16.76 8.59114 15.2051 7.48847 5.67097 numMergedOcc 0
14 mol 19 unq 4 iso 0 dist 8.59114 16.76 8.63204 14.3476 6.92532 6.57145 numMergedOcc 0
15 mol 19 unq 4 iso 1 dist 8.63204 16.76 8.59114 6.57145 6.92532 14.3476 numMergedOcc 0
16 mol 19 unq 5 iso 0 dist 8.59114 16.76 8.63204 12.7 6.36455 6.01189 numMergedOcc 0
17 mol 19 unq 5 iso 1 dist 8.63204 16.76 8.59114 6.01189 6.36455 12.7 numMergedOcc 0
18 mol 51 unq 0 iso 0 dist 9.97973 16.8715 9.42071 9.60137 7.76282 10.1569 numMergedOcc 0
19 mol 51 unq 0 iso 1 dist 9.42071 16.8715 9.97973 10.1569 7.76282 9.60137 numMergedOcc 0
20 mol 53 unq 0 iso 0 dist 8.83047 12.363 6.95013 14.3035 7.09169 5.02495 numMergedOcc 0
21 mol 53 unq 0 iso 1 dist 6.95013 12.363 8.83047 5.02495 7.09169 14.3035 numMergedOcc 0
22 mol 60 unq 0 iso 0 dist 7.4674 9.90603 8.4928 12.6215 9.96399 5.09908 numMergedOcc 0
23 mol 60 unq 0 iso 1 dist 8.4928 9.90603 7.4674 5.09908 9.96399 12.6215 numMergedOcc 0
24 mol 60 unq 1 iso 0 dist 7.4674 9.90603 8.4928 12.7297 7.55695 10.0675 numMergedOcc 0
25 mol 60 unq 1 iso 1 dist 8.4928 9.90603 7.4674 10.0675 7.55695 12.7297 numMergedOcc 0
26 mol 60 unq 2 iso 0 dist 7.4674 9.90603 8.4928 14.5723 8.82176 14.3334 numMergedOcc 0
27 mol 60 unq 2 iso 1 dist 8.4928 9.90603 7.4674 14.3334 8.82176 14.5723 numMergedOcc 0
28 mol 73 unq 0 iso 0 dist 8.91206 12.4475 8.67513 12.3394 8.03303 14.4506 numMergedOcc 0
29 mol 73 unq 0 iso 1 dist 8.67513 12.4475 8.91206 14.4506 8.03303 12.3394 numMergedOcc 0
30 mol 112 unq 0 iso 0 dist 7.35503 4.22711 8.79543 10.0299 7.23962 11.7503 numMergedOcc 0
31 mol 112 unq 0 iso 1 dist 8.79543 4.22711 7.35503 11.7503 7.23962 10.0299 numMergedOcc 0
32 mol 112 unq 1 iso 0 dist 7.35503 4.22711 8.79543 9.13496 9.00067 8.0952 numMergedOcc 0
33 mol 112 unq 1 iso 1 dist 8.79543 4.22711 7.35503 8.0952 9.00067 9.13496 numMergedOcc 0
34 mol 112 unq 2 iso 0 dist 7.35503 4.22711 8.79543 10.1793 9.89499 7.12714 numMergedOcc 0
35 mol 112 unq 2 iso 1 dist 8.79543 4.22711 7.35503 7.12714 9.89499 10.1793 numMergedOcc 0
36 mol 112 unq 3 iso 0 dist 7.35503 4.22711 8.79543 11.5698 7.30204 10.886 numMergedOcc 0
37 mol 112 unq 3 iso 1 dist 8.79543 4.22711 7.35503 10.886 7.30204 11.5698 numMergedOcc 0
38 mol 112 unq 4 iso 0 dist 7.35503 10.5302 6.48223 10.0299 7.23962 10.626 numMergedOcc 0
39 mol 112 unq 4 iso 1 dist 6.48223 10.5302 7.35503 10.626 7.23962 10.0299 numMergedOcc 0
40 mol 112 unq 5 iso 0 dist 7.35503 10.5302 6.48223 9.13496 9.00067 8.19562 numMergedOcc 0
41 mol 112 unq 5 iso 1 dist 6.48223 10.5302 7.35503 8.19562 9.00067 9.13496 numMergedOcc 0
42 mol 112 unq 6 iso 0 dist 7.35503 10.5302 6.48223 10.1793 9.89499 5.71097 numMergedOcc 0
43 mol 112 unq 6 iso 1 dist 6.48223 10.5302 7.35503 5.71097 9.89499 10.1793 numMergedOcc 0
44 mol 112 unq 7 iso 0 dist 7.35503 10.5302 6.48223 11.5698 7.30204 5.27363 numMergedOcc 0
45 mol 112 unq 7 iso 1 dist 6.48223 10.5302 7.35503 5.27363 7.30204 11.5698 numMergedOcc 0
46 mol 112 unq 4 iso 0 dist 8.79543 9.00066 6.48223 11.7503 7.23962 10.626 numMergedOcc 0
47 mol 112 unq 4 iso 1 dist 6.48223 9.00066 8.79543 10.626 7.23962 11.7503 numMergedOcc 0
48 mol 112 unq 5 iso 0 dist 8.79543 9.00066 6.48223 8.0952 9.00067 8.19562 numMergedOcc 0
49 mol 112 unq 5 iso 1 dist 6.48223 9.00066 8.79543 8.19562 9.00067 8.0952 numMergedOcc 0
50 mol 112 unq 6 iso 0 dist 8.79543 9.00066 6.48223 7.12714 9.89499 5.71097 numMergedOcc 0
51 mol 112 unq 6 iso 1 dist 6.48223 9.00066 8.79543 5.71097 9.89499 7.12714 numMergedOcc 0
52 mol 112 unq 7 iso 0 dist 8.79543 9.00066 6.48223 10.886 7.30204 5.27363 numMergedOcc 0
53 mol 112 unq 7 iso 1 dist 6.48223 9.00066 8.79543 5.27363 7.30204 10.886 numMergedOcc 0
54 mol 130 unq 0 iso 0 dist 4.85559 5.84182 6.87562 7.09664 8.33077 9.03539 numMergedOcc 0
55 mol 130 unq 0 iso 1 dist 6.87562 5.84182 4.85559 9.03539 8.33077 7.09664 numMergedOcc 0
56 mol 188 unq 0 iso 0 dist 8.8513 8.75579 9.53031 7.63908 8.47347 7.63236 numMergedOcc 0
57 mol 188 unq 0 iso 1 dist 9.53031 8.75579 8.8513 7.63236 8.47347 7.63908 numMergedOcc 0
58 mol 207 unq 0 iso 0 dist 7.21449 6.28447 9.22778 6.32727 8.32218 7.53149 numMergedOcc 0
59 mol 207 unq 0 iso 1 dist 9.22778 6.28447 7.21449 7.53149 8.32218 6.32727 numMergedOcc 0
60 mol 207 unq 1 iso 0 dist 7.21449 6.28447 9.22778 11.0577 7.96797 15.6632 numMergedOcc 0
61 mol 207 unq 1 iso 1 dist 9.22778 6.28447 7.21449 15.6632 7.96797 11.0577 numMergedOcc 0
62 mol 282 unq 0 iso 0 dist 6.91282 5.92133 5.51953 11.0508 8.0241 7.1564 numMergedOcc 0
63 mol 282 unq 0 iso 1 dist 5.51953 5.92133 6.91282 7.1564 8.0241 11.0508 numMergedOcc 0
64 mol 294 unq 0 iso 0 dist 9.21767 9.95352 6.16375 9.04205 7.91611 6.99988 numMergedOcc 0
65 mol 294 unq 0 iso 1 dist 6.16375 9.95352 9.21767 6.99988 7.91611 9.04205 numMergedOcc 0
