0 mol 0 unq 0 iso 0 dist 7.37981 9.98828 7.19621 12.7599 9.6994 9.95 numMergedOcc 0
1 mol 0 unq 0 iso 1 dist 7.19621 9.98828 7.37981 9.95 9.6994 12.7599 numMergedOcc 0
2 mol 0 unq 1 iso 0 dist 7.37981 9.98828 7.19621 13.3337 7.15528 6.83587 numMergedOcc 0
3 mol 0 unq 1 iso 1 dist 7.19621 9.98828 7.37981 6.83587 7.15528 13.3337 numMergedOcc 0
4 mol 7 unq 0 iso 0 dist 8.23909 13.1307 6.72215 13.823 9.60499 5.38502 numMergedOcc 0
5 mol 7 unq 0 iso 1 dist 6.72215 13.1307 8.23909 5.38502 9.60499 13.823 numMergedOcc 0
6 mol 54 unq 0 iso 0 dist 6.59893 5.42328 5.59773 11.9881 9.5589 13.9079 numMergedOcc 0
7 mol 54 unq 0 iso 1 dist 5.59773 5.42328 6.59893 13.9079 9.5589 11.9881 numMergedOcc 0
8 mol 54 unq 1 iso 0 dist 6.59893 5.42328 5.59773 10.3564 6.83299 10.4238 numMergedOcc 0
9 mol 54 unq 1 iso 1 dist 5.59773 5.42328 6.59893 10.4238 6.83299 10.3564 numMergedOcc 0
10 mol 54 unq 2 iso 0 dist 6.59893 5.42328 5.59773 12.4254 8.10861 10.1356 numMergedOcc 0
11 mol 54 unq 2 iso 1 dist 5.59773 5.42328 6.59893 10.1356 8.10861 12.4254 numMergedOcc 0
12 mol 60 unq 0 iso 0 dist 5.83937 10.9023 8.82095 6.62193 6.65595 5.63638 numMergedOcc 0
13 mol 60 unq 0 iso 1 dist 8.82095 10.9023 5.83937 5.63638 6.65595 6.62193 numMergedOcc 0
14 mol 60 unq 1 iso 0 dist 5.83937 10.9023 8.82095 10.9885 9.25011 5.95814 numMergedOcc 0
15 mol 60 unq 1 iso 1 dist 8.82095 10.9023 5.83937 5.95814 9.25011 10.9885 numMergedOcc 0
16 mol 60 unq 2 iso 0 dist 5.83937 10.9023 8.82095 9.96073 6.43294 13.6099 numMergedOcc 0
17 mol 60 unq 2 iso 1 dist 8.82095 10.9023 5.83937 13.6099 6.43294 9.96073 numMergedOcc 0
18 mol 60 unq 3 iso 0 dist 5.83937 10.9023 8.82095 11.2445 8.52121 12.0142 numMergedOcc 0
19 mol 60 unq 3 iso 1 dist 8.82095 10.9023 5.83937 12.0142 8.52121 11.2445 numMergedOcc 0
20 mol 61 unq 0 iso 0 dist 9.62468 8.0979 5.92705 10.7369 6.65721 5.4671 numMergedOcc 0
21 mol 61 unq 0 iso 1 dist 5.92705 8.0979 9.62468 5.4671 6.65721 10.7369 numMergedOcc 0
22 mol 61 unq 1 iso 0 dist 9.62468 8.0979 5.92705 11.5608 6.72123 10.1513 numMergedOcc 0
23 mol 61 unq 1 iso 1 dist 5.92705 8.0979 9.62468 10.1513 6.72123 11.5608 numMergedOcc 0
24 mol 73 unq 0 iso 0 dist 9.68526 4.4628 9.72442 8.31041 9.38498 11.7069 numMergedOcc 0
25 mol 73 unq 0 iso 1 dist 9.72442 4.4628 9.68526 11.7069 9.38498 8.31041 numMergedOcc 0
26 mol 73 unq 1 iso 0 dist 6.89722 5.47475 7.26679 10.4716 9.96396 8.31041 numMergedOcc 0
27 mol 73 unq 1 iso 1 dist 7.26679 5.47475 6.89722 8.31041 9.96396 10.4716 numMergedOcc 0
28 mol 73 unq 2 iso 0 dist 6.89722 5.47475 7.26679 5.2774 6.19304 5.44275 numMergedOcc 0
29 mol 73 unq 2 iso 1 dist 7.26679 5.47475 6.89722 5.44275 6.19304 5.2774 numMergedOcc 0
30 mol 73 unq 3 iso 0 dist 6.89722 5.47475 7.26679 13.9156 8.70481 11.2674 numMergedOcc 0
31 mol 73 unq 3 iso 1 dist 7.26679 5.47475 6.89722 11.2674 8.70481 13.9156 numMergedOcc 0
32 mol 102 unq 0 iso 0 dist 9.01767 7.56811 9.80678 6.42572 7.36792 5.54551 numMergedOcc 0
33 mol 102 unq 0 iso 1 dist 9.80678 7.56811 9.01767 5.54551 7.36792 6.42572 numMergedOcc 0
34 mol 130 unq 0 iso 0 dist 7.83619 15.0214 9.91643 10.0837 9.28393 7.40242 numMergedOcc 0
35 mol 130 unq 0 iso 1 dist 9.91643 15.0214 7.83619 7.40242 9.28393 10.0837 numMergedOcc 0
36 mol 131 unq 0 iso 0 dist 8.97145 8.09035 6.5874 14.257 6.85062 7.60371 numMergedOcc 0
37 mol 131 unq 0 iso 1 dist 6.5874 8.09035 8.97145 7.60371 6.85062 14.257 numMergedOcc 0
38 mol 175 unq 0 iso 0 dist 8.69888 7.01839 5.08206 11.5099 9.0018 12.1783 numMergedOcc 0
39 mol 175 unq 0 iso 1 dist 5.08206 7.01839 8.69888 12.1783 9.0018 11.5099 numMergedOcc 0
40 mol 175 unq 1 iso 0 dist 8.69888 7.01839 5.08206 5.50014 5.6234 7.28617 numMergedOcc 0
41 mol 175 unq 1 iso 1 dist 5.08206 7.01839 8.69888 7.28617 5.6234 5.50014 numMergedOcc 0
42 mol 175 unq 2 iso 0 dist 8.69888 7.01839 5.08206 7.39186 6.57069 5.77256 numMergedOcc 0
43 mol 175 unq 2 iso 1 dist 5.08206 7.01839 8.69888 5.77256 6.57069 7.39186 numMergedOcc 0
44 mol 181 unq 0 iso 0 dist 7.44191 8.67658 6.00053 9.60754 8.03334 11.1879 numMergedOcc 0
45 mol 181 unq 0 iso 1 dist 6.00053 8.67658 7.44191 11.1879 8.03334 9.60754 numMergedOcc 0
46 mol 224 unq 0 iso 0 dist 9.75313 11.6002 6.08709 6.46679 6.61986 7.85135 numMergedOcc 0
47 mol 224 unq 0 iso 1 dist 6.08709 11.6002 9.75313 7.85135 6.61986 6.46679 numMergedOcc 0
48 mol 224 unq 1 iso 0 dist 6.56437 6.35724 6.23882 14.2632 8.95269 15.0038 numMergedOcc 0
49 mol 224 unq 1 iso 1 dist 6.23882 6.35724 6.56437 15.0038 8.95269 14.2632 numMergedOcc 0
50 mol 224 unq 2 iso 0 dist 6.56437 10.9885 9.53131 14.2632 8.95269 9.59595 numMergedOcc 0
51 mol 224 unq 2 iso 1 dist 9.53131 10.9885 6.56437 9.59595 8.95269 14.2632 numMergedOcc 0
52 mol 224 unq 3 iso 0 dist 6.56437 14.4585 9.34636 14.2632 8.95269 5.63485 numMergedOcc 0
53 mol 224 unq 3 iso 1 dist 9.34636 14.4585 6.56437 5.63485 8.95269 14.2632 numMergedOcc 0
54 mol 224 unq 2 iso 0 dist 6.23882 13.2305 9.53131 15.0038 8.95269 9.59595 numMergedOcc 0
55 mol 224 unq 2 iso 1 dist 9.53131 13.2305 6.23882 9.59595 8.95269 15.0038 numMergedOcc 0
56 mol 224 unq 3 iso 0 dist 6.23882 14.027 9.34636 15.0038 8.95269 5.63485 numMergedOcc 0
57 mol 224 unq 3 iso 1 dist 9.34636 14.027 6.23882 5.63485 8.95269 15.0038 numMergedOcc 0
58 mol 224 unq 3 iso 0 dist 9.53131 7.4034 9.34636 9.59595 8.95269 5.63485 numMergedOcc 0
59 mol 224 unq 3 iso 1 dist 9.34636 7.4034 9.53131 5.63485 8.95269 9.59595 numMergedOcc 0
60 mol 238 unq 0 iso 0 dist 9.31417 4.85921 5.56719 6.62361 5.72887 5.96552 numMergedOcc 0
61 mol 238 unq 0 iso 1 dist 5.56719 4.85921 9.31417 5.96552 5.72887 6.62361 numMergedOcc 0
62 mol 249 unq 0 iso 0 dist 7.29898 5.2966 8.91685 6.6173 7.57994 5.25611 numMergedOcc 0
63 mol 249 unq 0 iso 1 dist 8.91685 5.2966 7.29898 5.25611 7.57994 6.6173 numMergedOcc 0
64 mol 249 unq 1 iso 0 dist 7.29898 5.2966 8.91685 8.95486 6.18582 9.66184 numMergedOcc 0
65 mol 249 unq 1 iso 1 dist 8.91685 5.2966 7.29898 9.66184 6.18582 8.95486 numMergedOcc 0
66 mol 253 unq 0 iso 0 dist 7.7993 8.46336 6.10761 13.0587 9.02271 4.70422 numMergedOcc 0
67 mol 253 unq 0 iso 1 dist 6.10761 8.46336 7.7993 4.70422 9.02271 13.0587 numMergedOcc 0
68 mol 274 unq 0 iso 0 dist 7.80446 10.3541 9.91395 6.57235 9.10818 4.97216 numMergedOcc 0
69 mol 274 unq 0 iso 1 dist 9.91395 10.3541 7.80446 4.97216 9.10818 6.57235 numMergedOcc 0
70 mol 282 unq 0 iso 0 dist 5.67266 6.38894 5.80981 9.63727 8.04483 9.60898 numMergedOcc 0
71 mol 282 unq 0 iso 1 dist 5.80981 6.38894 5.67266 9.60898 8.04483 9.63727 numMergedOcc 0
72 mol 282 unq 1 iso 0 dist 5.67266 6.38894 5.80981 4.58403 8.76532 10.5698 numMergedOcc 0
73 mol 282 unq 1 iso 1 dist 5.80981 6.38894 5.67266 10.5698 8.76532 4.58403 numMergedOcc 0
74 mol 282 unq 2 iso 0 dist 5.67266 6.38894 5.80981 5.04235 6.33524 8.37652 numMergedOcc 0
75 mol 282 unq 2 iso 1 dist 5.80981 6.38894 5.67266 8.37652 6.33524 5.04235 numMergedOcc 0
76 mol 282 unq 3 iso 0 dist 5.67266 12.9312 9.63346 9.63727 8.04483 4.85461 numMergedOcc 0
77 mol 282 unq 3 iso 1 dist 9.63346 12.9312 5.67266 4.85461 8.04483 9.63727 numMergedOcc 0
78 mol 282 unq 4 iso 0 dist 5.67266 12.9312 9.63346 4.58403 8.76532 13.108 numMergedOcc 0
79 mol 282 unq 4 iso 1 dist 9.63346 12.9312 5.67266 13.108 8.76532 4.58403 numMergedOcc 0
80 mol 282 unq 5 iso 0 dist 5.67266 12.9312 9.63346 5.04235 6.33524 8.85797 numMergedOcc 0
81 mol 282 unq 5 iso 1 dist 9.63346 12.9312 5.67266 8.85797 6.33524 5.04235 numMergedOcc 0
82 mol 282 unq 3 iso 0 dist 5.80981 12.8857 9.63346 9.60898 8.04483 4.85461 numMergedOcc 0
83 mol 282 unq 3 iso 1 dist 9.63346 12.8857 5.80981 4.85461 8.04483 9.60898 numMergedOcc 0
84 mol 282 unq 4 iso 0 dist 5.80981 12.8857 9.63346 10.5698 8.76532 13.108 numMergedOcc 0
85 mol 282 unq 4 iso 1 dist 9.63346 12.8857 5.80981 13.108 8.76532 10.5698 numMergedOcc 0
86 mol 282 unq 5 iso 0 dist 5.80981 12.8857 9.63346 8.37652 6.33524 8.85797 numMergedOcc 0
87 mol 282 unq 5 iso 1 dist 9.63346 12.8857 5.80981 8.85797 6.33524 8.37652 numMergedOcc 0
