0 mol 8 unq 0 iso 0 dist 9.95165 12.915 7.3915 15.9496 6.82379 12.4076 11.959 7.43529 8.96553 10.9634 19.1539 10.6335 8.4069 10.9495 9.62879 numMergedOcc 0
1 mol 8 unq 1 iso 0 dist 9.95165 12.915 7.3915 14.678 6.24978 9.22548 11.959 7.43529 8.96553 12.9396 19.1539 10.6335 8.4069 11.4134 9.62879 numMergedOcc 0
2 mol 8 unq 2 iso 0 dist 9.95165 12.915 7.3915 17.3707 9.66439 7.96511 11.959 7.43529 8.96553 14.7769 19.1539 10.6335 8.4069 10.4705 9.62879 numMergedOcc 0
3 mol 19 unq 0 iso 0 dist 9.23617 14.4019 6.92532 11.8354 7.48847 10.8007 14.2971 5.18512 4.54938 9.78944 17.2239 10.1882 7.67038 7.83352 8.4674 numMergedOcc 0
4 mol 19 unq 1 iso 0 dist 9.23617 14.4019 6.92532 11.8354 7.48847 10.8007 14.2971 5.18512 4.54938 9.78944 10.38 6.36455 5.03957 10.6598 7.82074 numMergedOcc 0
5 mol 19 unq 2 iso 0 dist 9.23617 14.4019 6.92532 11.8354 7.48847 10.8007 18.119 9.47529 6.864 9.56313 17.2239 10.1882 7.67038 7.83352 4.51865 numMergedOcc 0
6 mol 19 unq 3 iso 0 dist 9.23617 14.4019 6.92532 10.38 6.36455 5.03957 14.2971 5.18512 4.54938 7.82074 17.2239 10.1882 7.67038 10.3915 8.4674 numMergedOcc 0
7 mol 19 unq 4 iso 0 dist 9.23617 14.4019 6.92532 10.38 6.36455 5.03957 18.119 9.47529 6.864 11.0366 17.2239 10.1882 7.67038 10.3915 4.51865 numMergedOcc 0
8 mol 19 unq 5 iso 0 dist 9.23617 10.38 6.36455 11.8354 7.48847 10.6598 14.2971 5.18512 7.82074 9.78944 17.2239 10.1882 10.3915 7.83352 8.4674 numMergedOcc 0
9 mol 19 unq 6 iso 0 dist 9.23617 10.38 6.36455 11.8354 7.48847 10.6598 14.2971 5.18512 7.82074 9.78944 14.4019 6.92532 5.03957 10.8007 4.54938 numMergedOcc 0
10 mol 19 unq 7 iso 0 dist 9.23617 10.38 6.36455 14.4019 6.92532 5.03957 14.2971 5.18512 7.82074 4.54938 17.2239 10.1882 10.3915 7.67038 8.4674 numMergedOcc 0
11 mol 19 unq 8 iso 0 dist 8.59114 14.3476 6.92532 5.67097 7.48847 10.8007 12.8189 5.18512 4.54938 9.78944 13.3592 10.1882 7.67038 7.83352 8.4674 numMergedOcc 0
12 mol 19 unq 9 iso 0 dist 8.59114 14.3476 6.92532 5.67097 7.48847 10.8007 12.8189 5.18512 4.54938 9.78944 12.7 6.36455 5.03957 10.6598 7.82074 numMergedOcc 0
13 mol 19 unq 10 iso 0 dist 8.59114 14.3476 6.92532 5.67097 7.48847 10.8007 14.4543 9.47529 6.864 9.56313 13.3592 10.1882 7.67038 7.83352 4.51865 numMergedOcc 0
14 mol 19 unq 11 iso 0 dist 8.59114 14.3476 6.92532 12.7 6.36455 5.03957 12.8189 5.18512 4.54938 7.82074 13.3592 10.1882 7.67038 10.3915 8.4674 numMergedOcc 0
15 mol 19 unq 12 iso 0 dist 8.59114 14.3476 6.92532 12.7 6.36455 5.03957 14.4543 9.47529 6.864 11.0366 13.3592 10.1882 7.67038 10.3915 4.51865 numMergedOcc 0
16 mol 19 unq 13 iso 0 dist 8.59114 12.7 6.36455 5.67097 7.48847 10.6598 12.8189 5.18512 7.82074 9.78944 13.3592 10.1882 10.3915 7.83352 8.4674 numMergedOcc 0
17 mol 19 unq 14 iso 0 dist 8.59114 12.7 6.36455 5.67097 7.48847 10.6598 12.8189 5.18512 7.82074 9.78944 14.3476 6.92532 5.03957 10.8007 4.54938 numMergedOcc 0
18 mol 19 unq 15 iso 0 dist 8.59114 12.7 6.36455 14.3476 6.92532 5.03957 12.8189 5.18512 7.82074 4.54938 13.3592 10.1882 10.3915 7.67038 8.4674 numMergedOcc 0
19 mol 19 unq 16 iso 0 dist 8.63204 6.57145 6.92532 15.2051 7.48847 10.8007 8.18518 5.18512 4.54938 9.78944 14.1404 10.1882 7.67038 7.83352 8.4674 numMergedOcc 0
20 mol 19 unq 17 iso 0 dist 8.63204 6.57145 6.92532 15.2051 7.48847 10.8007 8.18518 5.18512 4.54938 9.78944 6.01189 6.36455 5.03957 10.6598 7.82074 numMergedOcc 0
21 mol 19 unq 18 iso 0 dist 8.63204 6.57145 6.92532 15.2051 7.48847 10.8007 12.9091 9.47529 6.864 9.56313 14.1404 10.1882 7.67038 7.83352 4.51865 numMergedOcc 0
22 mol 19 unq 19 iso 0 dist 8.63204 6.57145 6.92532 6.01189 6.36455 5.03957 8.18518 5.18512 4.54938 7.82074 14.1404 10.1882 7.67038 10.3915 8.4674 numMergedOcc 0
23 mol 19 unq 20 iso 0 dist 8.63204 6.57145 6.92532 6.01189 6.36455 5.03957 12.9091 9.47529 6.864 11.0366 14.1404 10.1882 7.67038 10.3915 4.51865 numMergedOcc 0
24 mol 19 unq 21 iso 0 dist 8.63204 6.01189 6.36455 15.2051 7.48847 10.6598 8.18518 5.18512 7.82074 9.78944 14.1404 10.1882 10.3915 7.83352 8.4674 numMergedOcc 0
25 mol 19 unq 22 iso 0 dist 8.63204 6.01189 6.36455 15.2051 7.48847 10.6598 8.18518 5.18512 7.82074 9.78944 6.57145 6.92532 5.03957 10.8007 4.54938 numMergedOcc 0
26 mol 19 unq 23 iso 0 dist 8.63204 6.01189 6.36455 6.57145 6.92532 5.03957 8.18518 5.18512 7.82074 4.54938 14.1404 10.1882 10.3915 7.67038 8.4674 numMergedOcc 0
27 mol 24 unq 0 iso 0 dist 4.61828 9.20254 6.60423 8.8926 7.83786 7.05502 10.4452 5.97304 8.86116 10.5273 12.3729 9.0934 6.44287 5.79707 8.38394 numMergedOcc 0
28 mol 60 unq 0 iso 0 dist 7.4674 12.6215 9.96399 12.7297 7.55695 7.29309 15.7602 9.62257 8.33063 8.7531 16.9098 10.0962 10.1562 5.67502 6.43294 numMergedOcc 0
29 mol 60 unq 1 iso 0 dist 7.4674 12.6215 9.96399 14.5723 8.82176 12.2509 15.7602 9.62257 8.33063 11.5843 16.9098 10.0962 10.1562 6.54743 6.43294 numMergedOcc 0
30 mol 60 unq 2 iso 0 dist 7.4674 12.6215 9.96399 14.5723 8.82176 12.2509 15.7602 9.62257 8.33063 11.5843 12.7297 7.55695 7.29309 5.00018 8.7531 numMergedOcc 0
31 mol 60 unq 3 iso 0 dist 7.4674 12.7297 7.55695 12.6215 9.96399 7.29309 15.7602 9.62257 8.7531 8.33063 16.9098 10.0962 5.67502 10.1562 6.43294 numMergedOcc 0
32 mol 60 unq 4 iso 0 dist 7.4674 12.7297 7.55695 14.5723 8.82176 5.00018 15.7602 9.62257 8.7531 11.5843 12.6215 9.96399 7.29309 12.2509 8.33063 numMergedOcc 0
33 mol 60 unq 5 iso 0 dist 7.4674 12.7297 7.55695 14.5723 8.82176 5.00018 15.7602 9.62257 8.7531 11.5843 16.9098 10.0962 5.67502 6.54743 6.43294 numMergedOcc 0
34 mol 60 unq 6 iso 0 dist 7.4674 14.5723 8.82176 12.6215 9.96399 12.2509 20.3893 13.0114 8.90863 16.4714 16.9098 10.0962 6.54743 10.1562 6.65595 numMergedOcc 0
35 mol 60 unq 7 iso 0 dist 7.4674 14.5723 8.82176 12.7297 7.55695 5.00018 20.3893 13.0114 8.90863 11.1899 16.9098 10.0962 6.54743 5.67502 6.65595 numMergedOcc 0
36 mol 60 unq 8 iso 0 dist 8.4928 5.09908 9.96399 10.0675 7.55695 7.29309 8.8058 9.62257 8.33063 8.7531 12.5818 10.0962 10.1562 5.67502 6.43294 numMergedOcc 0
37 mol 60 unq 9 iso 0 dist 8.4928 5.09908 9.96399 14.3334 8.82176 12.2509 8.8058 9.62257 8.33063 11.5843 12.5818 10.0962 10.1562 6.54743 6.43294 numMergedOcc 0
38 mol 60 unq 10 iso 0 dist 8.4928 5.09908 9.96399 14.3334 8.82176 12.2509 8.8058 9.62257 8.33063 11.5843 10.0675 7.55695 7.29309 5.00018 8.7531 numMergedOcc 0
39 mol 60 unq 11 iso 0 dist 8.4928 10.0675 7.55695 5.09908 9.96399 7.29309 8.8058 9.62257 8.7531 8.33063 12.5818 10.0962 5.67502 10.1562 6.43294 numMergedOcc 0
40 mol 60 unq 12 iso 0 dist 8.4928 10.0675 7.55695 14.3334 8.82176 5.00018 8.8058 9.62257 8.7531 11.5843 5.09908 9.96399 7.29309 12.2509 8.33063 numMergedOcc 0
41 mol 60 unq 13 iso 0 dist 8.4928 10.0675 7.55695 14.3334 8.82176 5.00018 8.8058 9.62257 8.7531 11.5843 12.5818 10.0962 5.67502 6.54743 6.43294 numMergedOcc 0
42 mol 60 unq 14 iso 0 dist 8.4928 14.3334 8.82176 5.09908 9.96399 12.2509 17.8366 13.0114 8.90863 16.4714 12.5818 10.0962 6.54743 10.1562 6.65595 numMergedOcc 0
43 mol 60 unq 15 iso 0 dist 8.4928 14.3334 8.82176 10.0675 7.55695 5.00018 17.8366 13.0114 8.90863 11.1899 12.5818 10.0962 6.54743 5.67502 6.65595 numMergedOcc 0
44 mol 112 unq 0 iso 0 dist 7.35503 10.0299 7.23962 9.13496 9.00067 7.03147 11.0565 3.98564 9.60462 11.192 11.5698 7.30204 7.05226 5.56241 7.45389 numMergedOcc 0
45 mol 112 unq 1 iso 0 dist 7.35503 10.0299 7.23962 10.1793 9.89499 11.4954 11.0565 3.98564 9.60462 10.9806 11.5698 7.30204 7.05226 6.77737 7.45389 numMergedOcc 0
46 mol 112 unq 2 iso 0 dist 7.35503 11.5698 7.30204 9.13496 9.00067 5.56241 11.0565 3.98564 7.45389 11.192 10.0299 7.23962 7.05226 7.03147 9.60462 numMergedOcc 0
47 mol 112 unq 3 iso 0 dist 7.35503 11.5698 7.30204 10.1793 9.89499 6.77737 11.0565 3.98564 7.45389 10.9806 10.0299 7.23962 7.05226 11.4954 9.60462 numMergedOcc 0
48 mol 112 unq 4 iso 0 dist 8.79543 11.7503 7.23962 8.0952 9.00067 7.03147 11.6825 3.98564 9.60462 11.192 10.886 7.30204 7.05226 5.56241 7.45389 numMergedOcc 0
49 mol 112 unq 5 iso 0 dist 8.79543 11.7503 7.23962 7.12714 9.89499 11.4954 11.6825 3.98564 9.60462 10.9806 10.886 7.30204 7.05226 6.77737 7.45389 numMergedOcc 0
50 mol 112 unq 6 iso 0 dist 8.79543 10.886 7.30204 8.0952 9.00067 5.56241 11.6825 3.98564 7.45389 11.192 11.7503 7.23962 7.05226 7.03147 9.60462 numMergedOcc 0
51 mol 112 unq 7 iso 0 dist 8.79543 10.886 7.30204 7.12714 9.89499 6.77737 11.6825 3.98564 7.45389 10.9806 11.7503 7.23962 7.05226 11.4954 9.60462 numMergedOcc 0
52 mol 112 unq 8 iso 0 dist 6.48223 10.626 7.23962 8.19562 9.00067 7.03147 5.81552 3.98564 9.60462 11.192 5.27363 7.30204 7.05226 5.56241 7.45389 numMergedOcc 0
53 mol 112 unq 9 iso 0 dist 6.48223 10.626 7.23962 5.71097 9.89499 11.4954 5.81552 3.98564 9.60462 10.9806 5.27363 7.30204 7.05226 6.77737 7.45389 numMergedOcc 0
54 mol 112 unq 10 iso 0 dist 6.48223 5.27363 7.30204 8.19562 9.00067 5.56241 5.81552 3.98564 7.45389 11.192 10.626 7.23962 7.05226 7.03147 9.60462 numMergedOcc 0
55 mol 112 unq 11 iso 0 dist 6.48223 5.27363 7.30204 5.71097 9.89499 6.77737 5.81552 3.98564 7.45389 10.9806 10.626 7.23962 7.05226 11.4954 9.60462 numMergedOcc 0
56 mol 152 unq 0 iso 0 dist 9.19078 7.17016 9.77552 11.3742 8.28642 7.65448 13.9298 9.35627 8.56324 6.70283 16.1858 13.1536 10.6875 5.49936 7.16148 numMergedOcc 0
57 mol 152 unq 1 iso 0 dist 9.19078 11.3742 8.28642 7.17016 9.77552 7.65448 13.1463 5.70788 5.87555 10.399 16.1858 13.1536 5.49936 10.6875 8.87437 numMergedOcc 0
58 mol 152 unq 2 iso 0 dist 9.19078 11.3742 8.28642 7.17016 9.77552 7.65448 13.9298 9.35627 6.70283 8.56324 16.1858 13.1536 5.49936 10.6875 7.16148 numMergedOcc 0
59 mol 152 unq 3 iso 0 dist 9.19078 11.3742 8.28642 7.17016 9.77552 7.65448 18.3042 11.2078 8.67331 14.1618 16.1858 13.1536 5.49936 10.6875 8.05741 numMergedOcc 0
60 mol 156 unq 0 iso 0 dist 9.17868 9.85133 6.2319 9.72865 9.31851 7.14831 14.4092 5.82636 8.34702 13.584 15.9362 9.97732 6.31306 9.98789 9.06726 numMergedOcc 0
61 mol 156 unq 1 iso 0 dist 9.17868 9.85133 6.2319 9.72865 9.31851 7.14831 14.4092 5.82636 8.34702 13.584 15.7471 10.5243 6.56229 13.0839 8.33171 numMergedOcc 0
62 mol 156 unq 2 iso 0 dist 9.17868 9.85133 6.2319 15.9362 9.97732 6.31306 14.4092 5.82636 8.34702 9.06726 15.7471 10.5243 6.56229 5.64555 8.33171 numMergedOcc 0
63 mol 156 unq 3 iso 0 dist 9.17868 15.9362 9.97732 9.72865 9.31851 9.98789 14.4092 5.82636 9.06726 13.584 9.85133 6.2319 6.31306 7.14831 8.34702 numMergedOcc 0
64 mol 156 unq 4 iso 0 dist 9.17868 15.9362 9.97732 9.72865 9.31851 9.98789 14.4092 5.82636 9.06726 13.584 15.7471 10.5243 5.64555 13.0839 8.33171 numMergedOcc 0
65 mol 156 unq 5 iso 0 dist 9.17868 15.9362 9.97732 9.85133 6.2319 6.31306 14.4092 5.82636 9.06726 8.34702 15.7471 10.5243 5.64555 6.56229 8.33171 numMergedOcc 0
66 mol 186 unq 0 iso 0 dist 4.97005 9.14781 8.64409 11.3961 9.56197 8.04815 11.0743 9.97575 9.09754 15.6447 16.8906 15.9107 9.50685 16.4637 8.87694 numMergedOcc 0
67 mol 186 unq 1 iso 0 dist 4.97005 9.14781 8.64409 10.0248 7.24795 13.684 11.0743 9.97575 9.09754 16.9992 16.8906 15.9107 9.50685 21.886 8.87694 numMergedOcc 0
68 mol 186 unq 2 iso 0 dist 4.97005 9.14781 8.64409 6.69897 7.60202 7.18269 11.0743 9.97575 9.09754 14.1487 16.8906 15.9107 9.50685 16.6762 8.87694 numMergedOcc 0
69 mol 222 unq 0 iso 0 dist 9.04499 5.68063 7.862 15.0199 9.2581 10.5806 7.27481 6.42798 6.00706 12.6531 5.90074 12.5287 6.8425 17.2569 7.54212 numMergedOcc 0
70 mol 222 unq 1 iso 0 dist 9.04499 5.68063 7.862 8.88 9.62632 6.9154 7.27481 6.42798 6.00706 11.8674 5.90074 12.5287 6.8425 12.6553 7.54212 numMergedOcc 0
71 mol 227 unq 0 iso 0 dist 9.33735 15.9389 8.38865 10.8811 5.4694 5.22356 17.255 11.0628 7.22101 8.65997 17.1087 12.9778 6.99063 7.60506 9.34734 numMergedOcc 0
72 mol 227 unq 1 iso 0 dist 9.33735 15.9389 8.38865 10.8811 5.4694 5.22356 17.255 11.0628 7.22101 8.65997 16.2452 13.9676 10.8658 9.70012 7.56888 numMergedOcc 0
73 mol 227 unq 2 iso 0 dist 9.33735 15.9389 8.38865 10.8811 5.4694 5.22356 17.255 11.0628 7.22101 8.65997 20.3593 16.9219 12.4689 12.9332 7.55216 numMergedOcc 0
74 mol 227 unq 3 iso 0 dist 9.33735 10.8811 5.4694 15.9389 8.38865 5.22356 17.255 11.0628 8.65997 7.22101 17.1087 12.9778 7.60506 6.99063 9.34734 numMergedOcc 0
75 mol 227 unq 4 iso 0 dist 9.33735 10.8811 5.4694 15.9389 8.38865 5.22356 17.255 11.0628 8.65997 7.22101 16.2452 13.9676 9.70012 10.8658 7.56888 numMergedOcc 0
76 mol 227 unq 5 iso 0 dist 9.33735 10.8811 5.4694 15.9389 8.38865 5.22356 17.255 11.0628 8.65997 7.22101 20.3593 16.9219 12.9332 12.4689 7.55216 numMergedOcc 0
77 mol 229 unq 0 iso 0 dist 9.3376 12.696 8.92743 11.6366 8.08082 6.94172 15.825 9.62106 7.03423 12.3823 16.5602 9.45972 6.84129 6.78838 9.06952 numMergedOcc 0
78 mol 229 unq 1 iso 0 dist 9.3376 12.696 8.92743 6.44004 5.77318 7.0298 15.825 9.62106 7.03423 11.4362 16.5602 9.45972 6.84129 10.2557 9.06952 numMergedOcc 0
79 mol 229 unq 2 iso 0 dist 9.3376 12.696 8.92743 10.442 8.19603 15.7694 15.825 9.62106 7.03423 17.78 16.5602 9.45972 6.84129 15.0317 9.06952 numMergedOcc 0
80 mol 272 unq 0 iso 0 dist 7.11691 11.9042 9.64269 9.87214 6.88809 6.6954 6.62923 4.86504 9.97651 10.1698 5.27123 8.46061 8.12676 7.34222 8.46116 numMergedOcc 0
81 mol 272 unq 1 iso 0 dist 7.11691 5.27123 8.46061 9.87214 6.88809 7.34222 6.62923 4.86504 8.46116 10.1698 11.9042 9.64269 8.12676 6.6954 9.97651 numMergedOcc 0
