0 mol 8 unq 0 iso 0 dist 9.95165 12.915 7.3915 11.959 7.43529 8.96553 numMergedOcc 0
1 mol 19 unq 0 iso 0 dist 9.23617 14.4019 6.92532 21.0095 12.3486 7.20519 numMergedOcc 0
2 mol 19 unq 1 iso 0 dist 9.23617 14.4019 6.92532 14.2971 5.18512 4.54938 numMergedOcc 0
3 mol 19 unq 2 iso 0 dist 9.23617 14.4019 6.92532 18.119 9.47529 6.864 numMergedOcc 0
4 mol 19 unq 3 iso 0 dist 9.23617 10.38 6.36455 14.2971 5.18512 7.82074 numMergedOcc 0
5 mol 19 unq 4 iso 0 dist 8.59114 14.3476 6.92532 19.776 12.3486 7.20519 numMergedOcc 0
6 mol 19 unq 5 iso 0 dist 8.59114 14.3476 6.92532 12.8189 5.18512 4.54938 numMergedOcc 0
7 mol 19 unq 6 iso 0 dist 8.59114 14.3476 6.92532 14.4543 9.47529 6.864 numMergedOcc 0
8 mol 19 unq 7 iso 0 dist 8.59114 12.7 6.36455 12.8189 5.18512 7.82074 numMergedOcc 0
9 mol 19 unq 8 iso 0 dist 8.63204 6.57145 6.92532 10.7917 12.3486 7.20519 numMergedOcc 0
10 mol 19 unq 9 iso 0 dist 8.63204 6.57145 6.92532 8.18518 5.18512 4.54938 numMergedOcc 0
11 mol 19 unq 10 iso 0 dist 8.63204 6.57145 6.92532 12.9091 9.47529 6.864 numMergedOcc 0
12 mol 19 unq 11 iso 0 dist 8.63204 6.01189 6.36455 8.18518 5.18512 7.82074 numMergedOcc 0
13 mol 24 unq 0 iso 0 dist 4.61828 9.20254 6.60423 6.85331 6.00575 6.86014 numMergedOcc 0
14 mol 24 unq 1 iso 0 dist 4.61828 9.20254 6.60423 10.4452 5.97304 8.86116 numMergedOcc 0
15 mol 60 unq 0 iso 0 dist 7.4674 12.6215 9.96399 15.7602 9.62257 8.33063 numMergedOcc 0
16 mol 60 unq 1 iso 0 dist 7.4674 12.7297 7.55695 15.7602 9.62257 8.7531 numMergedOcc 0
17 mol 60 unq 2 iso 0 dist 7.4674 14.5723 8.82176 20.3893 13.0114 8.90863 numMergedOcc 0
18 mol 60 unq 3 iso 0 dist 8.4928 5.09908 9.96399 8.8058 9.62257 8.33063 numMergedOcc 0
19 mol 60 unq 4 iso 0 dist 8.4928 10.0675 7.55695 8.8058 9.62257 8.7531 numMergedOcc 0
20 mol 60 unq 5 iso 0 dist 8.4928 14.3334 8.82176 17.8366 13.0114 8.90863 numMergedOcc 0
21 mol 85 unq 0 iso 0 dist 9.924 3.85308 7.33422 11.7729 6.82174 7.95579 numMergedOcc 0
22 mol 85 unq 1 iso 0 dist 9.924 3.85308 7.33422 9.8682 7.91778 6.19965 numMergedOcc 0
23 mol 85 unq 2 iso 0 dist 9.924 3.85308 7.33422 9.22376 10.121 7.66905 numMergedOcc 0
24 mol 92 unq 0 iso 0 dist 5.22996 6.09495 6.49956 10.869 6.86728 9.33898 numMergedOcc 0
25 mol 92 unq 1 iso 0 dist 5.22996 6.09495 6.49956 14.4679 12.163 9.64443 numMergedOcc 0
26 mol 100 unq 0 iso 0 dist 6.14415 6.89762 7.12017 9.57498 9.52882 6.45675 numMergedOcc 0
27 mol 100 unq 1 iso 0 dist 6.14415 6.89762 7.12017 10.0165 12.6602 7.47343 numMergedOcc 0
28 mol 100 unq 2 iso 0 dist 6.14415 6.89762 7.12017 15.6218 14.8674 8.86688 numMergedOcc 0
29 mol 112 unq 0 iso 0 dist 7.35503 10.0299 7.23962 11.0565 3.98564 9.60462 numMergedOcc 0
30 mol 112 unq 1 iso 0 dist 7.35503 11.5698 7.30204 11.0565 3.98564 7.45389 numMergedOcc 0
31 mol 112 unq 2 iso 0 dist 8.79543 11.7503 7.23962 11.6825 3.98564 9.60462 numMergedOcc 0
32 mol 112 unq 3 iso 0 dist 8.79543 10.886 7.30204 11.6825 3.98564 7.45389 numMergedOcc 0
33 mol 112 unq 4 iso 0 dist 6.48223 10.626 7.23962 5.81552 3.98564 9.60462 numMergedOcc 0
34 mol 112 unq 5 iso 0 dist 6.48223 5.27363 7.30204 5.81552 3.98564 7.45389 numMergedOcc 0
35 mol 114 unq 0 iso 0 dist 7.73842 5.24877 6.34525 9.24515 11.128 7.5732 numMergedOcc 0
36 mol 115 unq 0 iso 0 dist 8.99731 7.64822 5.72642 7.44784 5.61704 7.30858 numMergedOcc 0
37 mol 115 unq 1 iso 0 dist 8.99731 7.64822 5.72642 12.7842 6.4497 5.83991 numMergedOcc 0
38 mol 115 unq 2 iso 0 dist 8.99731 7.64822 5.72642 9.56867 7.3094 7.88312 numMergedOcc 0
39 mol 119 unq 0 iso 0 dist 8.84146 13.7656 7.77116 10.2589 3.78311 8.73993 numMergedOcc 0
40 mol 126 unq 0 iso 0 dist 7.68174 13.9162 9.46588 12.477 5.5703 6.06638 numMergedOcc 0
41 mol 130 unq 0 iso 0 dist 4.85559 7.09664 8.33077 9.05626 5.97111 8.70949 numMergedOcc 0
42 mol 130 unq 1 iso 0 dist 6.87562 9.03539 8.33077 12.173 5.97111 8.70949 numMergedOcc 0
43 mol 152 unq 0 iso 0 dist 9.19078 7.17016 9.77552 13.9298 9.35627 8.56324 numMergedOcc 0
44 mol 152 unq 1 iso 0 dist 9.19078 11.3742 8.28642 13.1463 5.70788 5.87555 numMergedOcc 0
45 mol 152 unq 2 iso 0 dist 9.19078 11.3742 8.28642 13.9298 9.35627 6.70283 numMergedOcc 0
46 mol 152 unq 3 iso 0 dist 9.19078 11.3742 8.28642 18.3042 11.2078 8.67331 numMergedOcc 0
47 mol 156 unq 0 iso 0 dist 9.17868 9.85133 6.2319 14.4092 5.82636 8.34702 numMergedOcc 0
48 mol 156 unq 1 iso 0 dist 9.17868 15.9362 9.97732 14.4092 5.82636 9.06726 numMergedOcc 0
49 mol 186 unq 0 iso 0 dist 4.97005 9.14781 8.64409 11.0743 9.97575 9.09754 numMergedOcc 0
50 mol 188 unq 0 iso 0 dist 8.8513 7.63908 8.47347 10.7448 4.46081 9.96154 numMergedOcc 0
51 mol 188 unq 1 iso 0 dist 9.53031 7.63236 8.47347 7.63268 4.46081 9.96154 numMergedOcc 0
52 mol 214 unq 0 iso 0 dist 8.91471 3.99247 8.46327 10.8385 10.2399 8.82096 numMergedOcc 0
53 mol 222 unq 0 iso 0 dist 9.04499 5.68063 7.862 7.27481 6.42798 6.00706 numMergedOcc 0
54 mol 227 unq 0 iso 0 dist 9.33735 15.9389 8.38865 17.255 11.0628 7.22101 numMergedOcc 0
55 mol 227 unq 1 iso 0 dist 9.33735 15.9389 8.38865 20.5429 12.9587 7.09863 numMergedOcc 0
56 mol 227 unq 2 iso 0 dist 9.33735 10.8811 5.4694 17.255 11.0628 8.65997 numMergedOcc 0
57 mol 229 unq 0 iso 0 dist 9.3376 12.696 8.92743 14.4018 11.6847 8.22528 numMergedOcc 0
58 mol 229 unq 1 iso 0 dist 9.3376 12.696 8.92743 15.825 9.62106 7.03423 numMergedOcc 0
59 mol 229 unq 2 iso 0 dist 9.3376 6.44004 5.77318 9.87839 7.7339 9.87838 numMergedOcc 0
60 mol 253 unq 0 iso 0 dist 9.92698 6.27022 9.66465 7.71295 6.89124 6.73034 numMergedOcc 0
61 mol 272 unq 0 iso 0 dist 7.11691 11.9042 9.64269 6.62923 4.86504 9.97651 numMergedOcc 0
62 mol 272 unq 1 iso 0 dist 7.11691 5.27123 8.46061 4.78812 8.7909 8.33638 numMergedOcc 0
63 mol 272 unq 2 iso 0 dist 7.11691 5.27123 8.46061 6.62923 4.86504 8.46116 numMergedOcc 0
