0 mol 0 unq 0 iso 0 dist 8.31596 5.75315 11.6716 4.22598 5.88757 9.53906 numMergedOcc 0
1 mol 0 unq 0 iso 1 dist 8.31596 5.88757 4.22598 11.6716 5.75315 9.53906 numMergedOcc 0
2 mol 0 unq 1 iso 0 dist 6.3267 5.75315 6.78129 4.22598 8.66548 9.53906 numMergedOcc 0
3 mol 0 unq 1 iso 1 dist 6.3267 8.66548 4.22598 6.78129 5.75315 9.53906 numMergedOcc 0
4 mol 32 unq 0 iso 0 dist 7.18766 7.11053 5.19476 6.49199 9.65897 10.1837 numMergedOcc 0
5 mol 32 unq 0 iso 1 dist 7.18766 9.65897 6.49199 5.19476 7.11053 10.1837 numMergedOcc 0
6 mol 32 unq 1 iso 0 dist 7.48825 7.11053 8.73368 5.57199 8.74576 11.9642 numMergedOcc 0
7 mol 32 unq 1 iso 1 dist 7.48825 8.74576 5.57199 8.73368 7.11053 11.9642 numMergedOcc 0
8 mol 34 unq 0 iso 0 dist 8.55901 5.91068 4.22398 10.4688 8.38156 10.8709 numMergedOcc 0
9 mol 34 unq 0 iso 1 dist 8.55901 8.38156 10.4688 4.22398 5.91068 10.8709 numMergedOcc 0
10 mol 34 unq 1 iso 0 dist 8.55901 5.91068 4.22398 10.3961 7.79336 7.01952 numMergedOcc 0
11 mol 34 unq 1 iso 1 dist 8.55901 7.79336 10.3961 4.22398 5.91068 7.01952 numMergedOcc 0
12 mol 34 unq 2 iso 0 dist 8.55901 5.91068 4.22398 7.52709 7.08559 4.58552 numMergedOcc 0
13 mol 34 unq 2 iso 1 dist 8.55901 7.08559 7.52709 4.22398 5.91068 4.58552 numMergedOcc 0
14 mol 72 unq 0 iso 0 dist 9.19459 9.14817 9.88768 5.11318 9.37102 13.1318 numMergedOcc 0
15 mol 72 unq 0 iso 1 dist 9.19459 9.37102 5.11318 9.88768 9.14817 13.1318 numMergedOcc 0
16 mol 72 unq 1 iso 0 dist 9.19459 9.14817 9.88768 6.74416 5.4605 10.6668 numMergedOcc 0
17 mol 72 unq 1 iso 1 dist 9.19459 5.4605 6.74416 9.88768 9.14817 10.6668 numMergedOcc 0
18 mol 72 unq 2 iso 0 dist 9.19459 9.14817 9.88768 10.7904 6.53824 10.9996 numMergedOcc 0
19 mol 72 unq 2 iso 1 dist 9.19459 6.53824 10.7904 9.88768 9.14817 10.9996 numMergedOcc 0
20 mol 72 unq 3 iso 0 dist 9.19459 9.76686 12.9007 5.11318 9.37102 14.2158 numMergedOcc 0
21 mol 72 unq 3 iso 1 dist 9.19459 9.37102 5.11318 12.9007 9.76686 14.2158 numMergedOcc 0
22 mol 72 unq 4 iso 0 dist 9.19459 9.76686 12.9007 6.74416 5.4605 12.6707 numMergedOcc 0
23 mol 72 unq 4 iso 1 dist 9.19459 5.4605 6.74416 12.9007 9.76686 12.6707 numMergedOcc 0
24 mol 72 unq 5 iso 0 dist 9.19459 9.76686 12.9007 10.7904 6.53824 13.3434 numMergedOcc 0
25 mol 72 unq 5 iso 1 dist 9.19459 6.53824 10.7904 12.9007 9.76686 13.3434 numMergedOcc 0
26 mol 72 unq 6 iso 0 dist 9.19459 9.437 12.9235 5.11318 9.37102 14.4171 numMergedOcc 0
27 mol 72 unq 6 iso 1 dist 9.19459 9.37102 5.11318 12.9235 9.437 14.4171 numMergedOcc 0
28 mol 72 unq 7 iso 0 dist 9.19459 9.437 12.9235 6.74416 5.4605 13.7925 numMergedOcc 0
29 mol 72 unq 7 iso 1 dist 9.19459 5.4605 6.74416 12.9235 9.437 13.7925 numMergedOcc 0
30 mol 72 unq 8 iso 0 dist 9.19459 9.437 12.9235 10.7904 6.53824 15.6712 numMergedOcc 0
31 mol 72 unq 8 iso 1 dist 9.19459 6.53824 10.7904 12.9235 9.437 15.6712 numMergedOcc 0
32 mol 72 unq 9 iso 0 dist 8.59747 9.14817 12.6041 5.11318 7.93683 13.1318 numMergedOcc 0
33 mol 72 unq 9 iso 1 dist 8.59747 7.93683 5.11318 12.6041 9.14817 13.1318 numMergedOcc 0
34 mol 72 unq 10 iso 0 dist 8.59747 9.14817 12.6041 6.74416 6.7272 10.6668 numMergedOcc 0
35 mol 72 unq 10 iso 1 dist 8.59747 6.7272 6.74416 12.6041 9.14817 10.6668 numMergedOcc 0
36 mol 72 unq 11 iso 0 dist 8.59747 9.14817 12.6041 5.63793 7.64009 13.9797 numMergedOcc 0
37 mol 72 unq 11 iso 1 dist 8.59747 7.64009 5.63793 12.6041 9.14817 13.9797 numMergedOcc 0
38 mol 72 unq 12 iso 0 dist 8.59747 9.76686 15.1279 5.11318 7.93683 14.2158 numMergedOcc 0
39 mol 72 unq 12 iso 1 dist 8.59747 7.93683 5.11318 15.1279 9.76686 14.2158 numMergedOcc 0
40 mol 72 unq 13 iso 0 dist 8.59747 9.76686 15.1279 6.74416 6.7272 12.6707 numMergedOcc 0
41 mol 72 unq 13 iso 1 dist 8.59747 6.7272 6.74416 15.1279 9.76686 12.6707 numMergedOcc 0
42 mol 72 unq 14 iso 0 dist 8.59747 9.76686 15.1279 5.63793 7.64009 14.9302 numMergedOcc 0
43 mol 72 unq 14 iso 1 dist 8.59747 7.64009 5.63793 15.1279 9.76686 14.9302 numMergedOcc 0
44 mol 72 unq 15 iso 0 dist 8.59747 9.437 13.879 5.11318 7.93683 14.4171 numMergedOcc 0
45 mol 72 unq 15 iso 1 dist 8.59747 7.93683 5.11318 13.879 9.437 14.4171 numMergedOcc 0
46 mol 72 unq 16 iso 0 dist 8.59747 9.437 13.879 6.74416 6.7272 13.7925 numMergedOcc 0
47 mol 72 unq 16 iso 1 dist 8.59747 6.7272 6.74416 13.879 9.437 13.7925 numMergedOcc 0
48 mol 72 unq 17 iso 0 dist 8.59747 9.437 13.879 5.63793 7.64009 13.1216 numMergedOcc 0
49 mol 72 unq 17 iso 1 dist 8.59747 7.64009 5.63793 13.879 9.437 13.1216 numMergedOcc 0
50 mol 115 unq 0 iso 0 dist 6.40036 8.0168 5.65471 5.78043 7.65255 7.65564 numMergedOcc 0
51 mol 115 unq 0 iso 1 dist 6.40036 7.65255 5.78043 5.65471 8.0168 7.65564 numMergedOcc 0
52 mol 134 unq 0 iso 0 dist 6.4218 5.52149 11.3936 5.58312 5.73203 9.54071 numMergedOcc 0
53 mol 134 unq 0 iso 1 dist 6.4218 5.73203 5.58312 11.3936 5.52149 9.54071 numMergedOcc 0
54 mol 134 unq 1 iso 0 dist 6.4218 5.52149 11.3936 9.61537 6.57379 13.1518 numMergedOcc 0
55 mol 134 unq 1 iso 1 dist 6.4218 6.57379 9.61537 11.3936 5.52149 13.1518 numMergedOcc 0
56 mol 204 unq 0 iso 0 dist 5.89018 8.66162 4.08137 9.11693 5.3819 5.00369 numMergedOcc 0
57 mol 204 unq 0 iso 1 dist 5.89018 5.3819 9.11693 4.08137 8.66162 5.00369 numMergedOcc 0
58 mol 225 unq 0 iso 0 dist 8.75834 5.93063 11.3004 3.92979 8.91356 9.81207 numMergedOcc 0
59 mol 225 unq 0 iso 1 dist 8.75834 8.91356 3.92979 11.3004 5.93063 9.81207 numMergedOcc 0
60 mol 225 unq 1 iso 0 dist 8.75834 5.93063 11.3004 9.35263 9.57455 12.1635 numMergedOcc 0
61 mol 225 unq 1 iso 1 dist 8.75834 9.57455 9.35263 11.3004 5.93063 12.1635 numMergedOcc 0
62 mol 225 unq 2 iso 0 dist 9.36396 5.93063 11.0634 3.92979 9.59574 9.81207 numMergedOcc 0
63 mol 225 unq 2 iso 1 dist 9.36396 9.59574 3.92979 11.0634 5.93063 9.81207 numMergedOcc 0
64 mol 234 unq 0 iso 0 dist 8.49841 8.27411 6.00588 11.8229 9.11572 11.2575 numMergedOcc 0
65 mol 234 unq 0 iso 1 dist 8.49841 9.11572 11.8229 6.00588 8.27411 11.2575 numMergedOcc 0
66 mol 234 unq 1 iso 0 dist 8.49841 6.96257 14.8966 11.8229 9.11572 15.8278 numMergedOcc 0
67 mol 234 unq 1 iso 1 dist 8.49841 9.11572 11.8229 14.8966 6.96257 15.8278 numMergedOcc 0
68 mol 234 unq 2 iso 0 dist 9.6101 8.27411 13.9373 11.8229 7.20293 11.2575 numMergedOcc 0
69 mol 234 unq 2 iso 1 dist 9.6101 7.20293 11.8229 13.9373 8.27411 11.2575 numMergedOcc 0
70 mol 234 unq 3 iso 0 dist 9.6101 6.96257 10.72 11.8229 7.20293 15.8278 numMergedOcc 0
71 mol 234 unq 3 iso 1 dist 9.6101 7.20293 11.8229 10.72 6.96257 15.8278 numMergedOcc 0
72 mol 238 unq 0 iso 0 dist 6.65088 9.84652 13.037 6.29757 6.85253 15.1027 numMergedOcc 0
73 mol 238 unq 0 iso 1 dist 6.65088 6.85253 6.29757 13.037 9.84652 15.1027 numMergedOcc 0
74 mol 238 unq 1 iso 0 dist 6.5772 9.84652 9.75095 9.79637 7.39547 4.66186 numMergedOcc 0
75 mol 238 unq 1 iso 1 dist 6.5772 7.39547 9.79637 9.75095 9.84652 4.66186 numMergedOcc 0
76 mol 238 unq 2 iso 0 dist 6.17025 9.84652 6.12722 4.02449 5.43613 9.51483 numMergedOcc 0
77 mol 238 unq 2 iso 1 dist 6.17025 5.43613 4.02449 6.12722 9.84652 9.51483 numMergedOcc 0
78 mol 238 unq 3 iso 0 dist 6.17025 9.84652 6.12722 9.79637 7.24334 4.66186 numMergedOcc 0
79 mol 238 unq 3 iso 1 dist 6.17025 7.24334 9.79637 6.12722 9.84652 4.66186 numMergedOcc 0
80 mol 238 unq 4 iso 0 dist 9.0378 9.84652 12.1711 5.70572 9.82327 11.9473 numMergedOcc 0
81 mol 238 unq 4 iso 1 dist 9.0378 9.82327 5.70572 12.1711 9.84652 11.9473 numMergedOcc 0
82 mol 238 unq 5 iso 0 dist 9.0378 9.84652 12.1711 4.02449 7.06768 9.51483 numMergedOcc 0
83 mol 238 unq 5 iso 1 dist 9.0378 7.06768 4.02449 12.1711 9.84652 9.51483 numMergedOcc 0
84 mol 238 unq 6 iso 0 dist 9.0378 9.84652 12.1711 6.29757 9.08687 15.1027 numMergedOcc 0
85 mol 238 unq 6 iso 1 dist 9.0378 9.08687 6.29757 12.1711 9.84652 15.1027 numMergedOcc 0
86 mol 270 unq 0 iso 0 dist 9.16073 9.04189 10.7047 4.69954 9.85255 12.9345 numMergedOcc 0
87 mol 270 unq 0 iso 1 dist 9.16073 9.85255 4.69954 10.7047 9.04189 12.9345 numMergedOcc 0
88 mol 270 unq 1 iso 0 dist 8.39167 9.51462 7.66392 9.04454 9.85255 13.5464 numMergedOcc 0
89 mol 270 unq 1 iso 1 dist 8.39167 9.85255 9.04454 7.66392 9.51462 13.5464 numMergedOcc 0
90 mol 270 unq 2 iso 0 dist 8.39167 8.12971 4.66212 9.04454 9.85255 13.3044 numMergedOcc 0
91 mol 270 unq 2 iso 1 dist 8.39167 9.85255 9.04454 4.66212 8.12971 13.3044 numMergedOcc 0
92 mol 272 unq 0 iso 0 dist 6.75716 9.19905 9.96809 10.2399 8.84523 13.5525 numMergedOcc 0
93 mol 272 unq 0 iso 1 dist 6.75716 8.84523 10.2399 9.96809 9.19905 13.5525 numMergedOcc 0
94 mol 272 unq 1 iso 0 dist 6.75716 9.19905 9.96809 3.9539 6.95241 12.7807 numMergedOcc 0
95 mol 272 unq 1 iso 1 dist 6.75716 6.95241 3.9539 9.96809 9.19905 12.7807 numMergedOcc 0
