0 mol 8 unq 0 iso 0 dist 9.95165 12.915 7.3915 11.959 7.43529 8.96553 19.1539 10.6335 8.4069 9.62879 numMergedOcc 0
1 mol 19 unq 0 iso 0 dist 9.23617 14.4019 6.92532 14.2971 5.18512 4.54938 17.2239 10.1882 7.67038 8.4674 numMergedOcc 0
2 mol 19 unq 1 iso 0 dist 9.23617 14.4019 6.92532 14.2971 5.18512 4.54938 10.38 6.36455 5.03957 7.82074 numMergedOcc 0
3 mol 19 unq 2 iso 0 dist 9.23617 14.4019 6.92532 18.119 9.47529 6.864 17.2239 10.1882 7.67038 4.51865 numMergedOcc 0
4 mol 19 unq 3 iso 0 dist 9.23617 10.38 6.36455 14.2971 5.18512 7.82074 17.2239 10.1882 10.3915 8.4674 numMergedOcc 0
5 mol 19 unq 4 iso 0 dist 9.23617 10.38 6.36455 14.2971 5.18512 7.82074 14.4019 6.92532 5.03957 4.54938 numMergedOcc 0
6 mol 19 unq 5 iso 0 dist 8.59114 14.3476 6.92532 12.8189 5.18512 4.54938 13.3592 10.1882 7.67038 8.4674 numMergedOcc 0
7 mol 19 unq 6 iso 0 dist 8.59114 14.3476 6.92532 12.8189 5.18512 4.54938 12.7 6.36455 5.03957 7.82074 numMergedOcc 0
8 mol 19 unq 7 iso 0 dist 8.59114 14.3476 6.92532 14.4543 9.47529 6.864 13.3592 10.1882 7.67038 4.51865 numMergedOcc 0
9 mol 19 unq 8 iso 0 dist 8.59114 12.7 6.36455 12.8189 5.18512 7.82074 13.3592 10.1882 10.3915 8.4674 numMergedOcc 0
10 mol 19 unq 9 iso 0 dist 8.59114 12.7 6.36455 12.8189 5.18512 7.82074 14.3476 6.92532 5.03957 4.54938 numMergedOcc 0
11 mol 19 unq 10 iso 0 dist 8.63204 6.57145 6.92532 8.18518 5.18512 4.54938 14.1404 10.1882 7.67038 8.4674 numMergedOcc 0
12 mol 19 unq 11 iso 0 dist 8.63204 6.57145 6.92532 8.18518 5.18512 4.54938 6.01189 6.36455 5.03957 7.82074 numMergedOcc 0
13 mol 19 unq 12 iso 0 dist 8.63204 6.57145 6.92532 12.9091 9.47529 6.864 14.1404 10.1882 7.67038 4.51865 numMergedOcc 0
14 mol 19 unq 13 iso 0 dist 8.63204 6.01189 6.36455 8.18518 5.18512 7.82074 14.1404 10.1882 10.3915 8.4674 numMergedOcc 0
15 mol 19 unq 14 iso 0 dist 8.63204 6.01189 6.36455 8.18518 5.18512 7.82074 6.57145 6.92532 5.03957 4.54938 numMergedOcc 0
16 mol 24 unq 0 iso 0 dist 4.61828 9.20254 6.60423 10.4452 5.97304 8.86116 12.3729 9.0934 6.44287 8.38394 numMergedOcc 0
17 mol 60 unq 0 iso 0 dist 7.4674 12.6215 9.96399 15.7602 9.62257 8.33063 16.9098 10.0962 10.1562 6.43294 numMergedOcc 0
18 mol 60 unq 1 iso 0 dist 7.4674 12.6215 9.96399 15.7602 9.62257 8.33063 12.7297 7.55695 7.29309 8.7531 numMergedOcc 0
19 mol 60 unq 2 iso 0 dist 7.4674 12.7297 7.55695 15.7602 9.62257 8.7531 12.6215 9.96399 7.29309 8.33063 numMergedOcc 0
20 mol 60 unq 3 iso 0 dist 7.4674 12.7297 7.55695 15.7602 9.62257 8.7531 16.9098 10.0962 5.67502 6.43294 numMergedOcc 0
21 mol 60 unq 4 iso 0 dist 7.4674 14.5723 8.82176 20.3893 13.0114 8.90863 16.9098 10.0962 6.54743 6.65595 numMergedOcc 0
22 mol 60 unq 5 iso 0 dist 8.4928 5.09908 9.96399 8.8058 9.62257 8.33063 12.5818 10.0962 10.1562 6.43294 numMergedOcc 0
23 mol 60 unq 6 iso 0 dist 8.4928 5.09908 9.96399 8.8058 9.62257 8.33063 10.0675 7.55695 7.29309 8.7531 numMergedOcc 0
24 mol 60 unq 7 iso 0 dist 8.4928 10.0675 7.55695 8.8058 9.62257 8.7531 5.09908 9.96399 7.29309 8.33063 numMergedOcc 0
25 mol 60 unq 8 iso 0 dist 8.4928 10.0675 7.55695 8.8058 9.62257 8.7531 12.5818 10.0962 5.67502 6.43294 numMergedOcc 0
26 mol 60 unq 9 iso 0 dist 8.4928 14.3334 8.82176 17.8366 13.0114 8.90863 12.5818 10.0962 6.54743 6.65595 numMergedOcc 0
27 mol 85 unq 0 iso 0 dist 9.924 3.85308 7.33422 9.8682 7.91778 6.19965 5.75796 12.3486 5.42586 7.97049 numMergedOcc 0
28 mol 85 unq 1 iso 0 dist 9.924 3.85308 7.33422 9.22376 10.121 7.66905 5.75796 12.3486 5.42586 7.47541 numMergedOcc 0
29 mol 85 unq 2 iso 0 dist 9.924 3.85308 7.33422 9.22376 10.121 7.66905 9.77828 14.9249 10.1164 5.73196 numMergedOcc 0
30 mol 100 unq 0 iso 0 dist 6.14415 6.89762 7.12017 10.0165 12.6602 7.47343 7.225 12.6061 8.8807 6.65086 numMergedOcc 0
31 mol 100 unq 1 iso 0 dist 6.14415 6.89762 7.12017 10.0165 12.6602 7.47343 14.3348 18.4011 12.6515 6.56369 numMergedOcc 0
32 mol 100 unq 2 iso 0 dist 6.14415 6.89762 7.12017 10.0165 12.6602 7.47343 12.3318 17.8494 13.887 9.30209 numMergedOcc 0
33 mol 112 unq 0 iso 0 dist 7.35503 10.0299 7.23962 11.0565 3.98564 9.60462 11.5698 7.30204 7.05226 7.45389 numMergedOcc 0
34 mol 112 unq 1 iso 0 dist 7.35503 11.5698 7.30204 11.0565 3.98564 7.45389 10.0299 7.23962 7.05226 9.60462 numMergedOcc 0
35 mol 112 unq 2 iso 0 dist 8.79543 11.7503 7.23962 11.6825 3.98564 9.60462 10.886 7.30204 7.05226 7.45389 numMergedOcc 0
36 mol 112 unq 3 iso 0 dist 8.79543 10.886 7.30204 11.6825 3.98564 7.45389 11.7503 7.23962 7.05226 9.60462 numMergedOcc 0
37 mol 112 unq 4 iso 0 dist 6.48223 10.626 7.23962 5.81552 3.98564 9.60462 5.27363 7.30204 7.05226 7.45389 numMergedOcc 0
38 mol 112 unq 5 iso 0 dist 6.48223 5.27363 7.30204 5.81552 3.98564 7.45389 10.626 7.23962 7.05226 9.60462 numMergedOcc 0
39 mol 115 unq 0 iso 0 dist 8.99731 7.64822 5.72642 12.7842 6.4497 5.83991 9.97256 10.9734 7.69052 9.33865 numMergedOcc 0
40 mol 115 unq 1 iso 0 dist 8.99731 7.64822 5.72642 9.56867 7.3094 7.88312 9.97256 10.9734 7.69052 6.11741 numMergedOcc 0
41 mol 152 unq 0 iso 0 dist 9.19078 7.17016 9.77552 13.9298 9.35627 8.56324 11.3742 8.28642 7.65448 6.70283 numMergedOcc 0
42 mol 152 unq 1 iso 0 dist 9.19078 7.17016 9.77552 13.9298 9.35627 8.56324 16.1858 13.1536 10.6875 7.16148 numMergedOcc 0
43 mol 152 unq 2 iso 0 dist 9.19078 11.3742 8.28642 13.1463 5.70788 5.87555 16.1858 13.1536 5.49936 8.87437 numMergedOcc 0
44 mol 152 unq 3 iso 0 dist 9.19078 11.3742 8.28642 13.9298 9.35627 6.70283 7.17016 9.77552 7.65448 8.56324 numMergedOcc 0
45 mol 152 unq 4 iso 0 dist 9.19078 11.3742 8.28642 13.9298 9.35627 6.70283 16.1858 13.1536 5.49936 7.16148 numMergedOcc 0
46 mol 152 unq 5 iso 0 dist 9.19078 11.3742 8.28642 18.3042 11.2078 8.67331 16.1858 13.1536 5.49936 8.05741 numMergedOcc 0
47 mol 156 unq 0 iso 0 dist 9.17868 9.85133 6.2319 14.4092 5.82636 8.34702 15.9362 9.97732 6.31306 9.06726 numMergedOcc 0
48 mol 156 unq 1 iso 0 dist 9.17868 9.85133 6.2319 14.4092 5.82636 8.34702 15.7471 10.5243 6.56229 8.33171 numMergedOcc 0
49 mol 156 unq 2 iso 0 dist 9.17868 15.9362 9.97732 14.4092 5.82636 9.06726 9.85133 6.2319 6.31306 8.34702 numMergedOcc 0
50 mol 156 unq 3 iso 0 dist 9.17868 15.9362 9.97732 14.4092 5.82636 9.06726 15.7471 10.5243 5.64555 8.33171 numMergedOcc 0
51 mol 186 unq 0 iso 0 dist 4.97005 9.14781 8.64409 11.0743 9.97575 9.09754 16.8906 15.9107 9.50685 8.87694 numMergedOcc 0
52 mol 222 unq 0 iso 0 dist 9.04499 5.68063 7.862 7.27481 6.42798 6.00706 5.90074 12.5287 6.8425 7.54212 numMergedOcc 0
53 mol 227 unq 0 iso 0 dist 9.33735 15.9389 8.38865 17.255 11.0628 7.22101 17.1087 12.9778 6.99063 9.34734 numMergedOcc 0
54 mol 227 unq 1 iso 0 dist 9.33735 15.9389 8.38865 17.255 11.0628 7.22101 10.8811 5.4694 5.22356 8.65997 numMergedOcc 0
55 mol 227 unq 2 iso 0 dist 9.33735 15.9389 8.38865 17.255 11.0628 7.22101 16.2452 13.9676 10.8658 7.56888 numMergedOcc 0
56 mol 227 unq 3 iso 0 dist 9.33735 15.9389 8.38865 17.255 11.0628 7.22101 20.3593 16.9219 12.4689 7.55216 numMergedOcc 0
57 mol 227 unq 4 iso 0 dist 9.33735 10.8811 5.4694 17.255 11.0628 8.65997 17.1087 12.9778 7.60506 9.34734 numMergedOcc 0
58 mol 227 unq 5 iso 0 dist 9.33735 10.8811 5.4694 17.255 11.0628 8.65997 15.9389 8.38865 5.22356 7.22101 numMergedOcc 0
59 mol 227 unq 6 iso 0 dist 9.33735 10.8811 5.4694 17.255 11.0628 8.65997 16.2452 13.9676 9.70012 7.56888 numMergedOcc 0
60 mol 227 unq 7 iso 0 dist 9.33735 10.8811 5.4694 17.255 11.0628 8.65997 20.3593 16.9219 12.9332 7.55216 numMergedOcc 0
61 mol 229 unq 0 iso 0 dist 9.3376 12.696 8.92743 15.825 9.62106 7.03423 16.5602 9.45972 6.84129 9.06952 numMergedOcc 0
62 mol 253 unq 0 iso 0 dist 9.92698 6.27022 9.66465 7.71295 6.89124 6.73034 4.84708 13.1441 8.02948 8.31064 numMergedOcc 0
63 mol 272 unq 0 iso 0 dist 7.11691 11.9042 9.64269 6.62923 4.86504 9.97651 5.27123 8.46061 8.12676 8.46116 numMergedOcc 0
64 mol 272 unq 1 iso 0 dist 7.11691 5.27123 8.46061 6.62923 4.86504 8.46116 11.9042 9.64269 8.12676 9.97651 numMergedOcc 0
