0 mol 0 unq 0 iso 0 dist 7.37981 10.169 9.23213 11.9257 8.81979 9.14029 numMergedOcc 0
1 mol 0 unq 0 iso 1 dist 7.37981 11.9257 8.81979 10.169 9.23213 9.14029 numMergedOcc 0
2 mol 0 unq 1 iso 0 dist 7.19621 11.8799 9.23213 5.13546 8.81979 9.14029 numMergedOcc 0
3 mol 0 unq 1 iso 1 dist 7.19621 5.13546 8.81979 11.8799 9.23213 9.14029 numMergedOcc 0
4 mol 7 unq 0 iso 0 dist 7.21217 9.17096 7.31201 12.4418 9.36807 6.57017 numMergedOcc 0
5 mol 7 unq 0 iso 1 dist 7.21217 12.4418 9.36807 9.17096 7.31201 6.57017 numMergedOcc 0
6 mol 16 unq 0 iso 0 dist 8.67719 5.1298 6.58035 13.18 8.41862 10.9633 numMergedOcc 0
7 mol 16 unq 0 iso 1 dist 8.67719 13.18 8.41862 5.1298 6.58035 10.9633 numMergedOcc 0
8 mol 64 unq 0 iso 0 dist 6.6003 5.29079 9.80142 5.78769 9.54144 6.23335 numMergedOcc 0
9 mol 64 unq 0 iso 1 dist 6.6003 5.78769 9.54144 5.29079 9.80142 6.23335 numMergedOcc 0
10 mol 69 unq 0 iso 0 dist 9.74996 4.68683 7.04352 17.5002 8.1114 14.4772 numMergedOcc 0
11 mol 69 unq 0 iso 1 dist 9.74996 17.5002 8.1114 4.68683 7.04352 14.4772 numMergedOcc 0
12 mol 87 unq 0 iso 0 dist 8.50159 9.76372 7.51358 11.9014 8.93296 8.12939 numMergedOcc 0
13 mol 87 unq 0 iso 1 dist 8.50159 11.9014 8.93296 9.76372 7.51358 8.12939 numMergedOcc 0
14 mol 131 unq 0 iso 0 dist 8.97145 10.4276 6.91348 14.8011 9.51418 10.2027 numMergedOcc 0
15 mol 131 unq 0 iso 1 dist 8.97145 14.8011 9.51418 10.4276 6.91348 10.2027 numMergedOcc 0
16 mol 131 unq 1 iso 0 dist 6.5874 4.96935 6.91348 7.83921 9.51418 10.2027 numMergedOcc 0
17 mol 131 unq 1 iso 1 dist 6.5874 7.83921 9.51418 4.96935 6.91348 10.2027 numMergedOcc 0
18 mol 155 unq 0 iso 0 dist 7.02715 5.84938 8.87452 9.52867 7.68368 6.0706 numMergedOcc 0
19 mol 155 unq 0 iso 1 dist 7.02715 9.52867 7.68368 5.84938 8.87452 6.0706 numMergedOcc 0
20 mol 194 unq 0 iso 0 dist 7.32478 7.54928 5.48258 5.45144 6.15769 7.46053 numMergedOcc 0
21 mol 194 unq 0 iso 1 dist 7.32478 5.45144 6.15769 7.54928 5.48258 7.46053 numMergedOcc 0
22 mol 194 unq 1 iso 0 dist 9.48439 8.68698 5.48258 10.0346 6.15769 7.46053 numMergedOcc 0
23 mol 194 unq 1 iso 1 dist 9.48439 10.0346 6.15769 8.68698 5.48258 7.46053 numMergedOcc 0
24 mol 197 unq 0 iso 0 dist 8.64255 10.1284 8.99696 9.91133 7.85058 14.5931 numMergedOcc 0
25 mol 197 unq 0 iso 1 dist 8.64255 9.91133 7.85058 10.1284 8.99696 14.5931 numMergedOcc 0
26 mol 197 unq 1 iso 0 dist 8.64255 10.1284 8.99696 8.50763 9.96638 8.44549 numMergedOcc 0
27 mol 197 unq 1 iso 1 dist 8.64255 8.50763 9.96638 10.1284 8.99696 8.44549 numMergedOcc 0
28 mol 197 unq 1 iso 0 dist 8.64255 9.91133 7.85058 8.50763 9.96638 10.0338 numMergedOcc 0
29 mol 197 unq 1 iso 1 dist 8.64255 8.50763 9.96638 9.91133 7.85058 10.0338 numMergedOcc 0
30 mol 214 unq 0 iso 0 dist 8.49704 13.4309 6.97182 13.5787 6.1175 5.93129 numMergedOcc 0
31 mol 214 unq 0 iso 1 dist 8.49704 13.5787 6.1175 13.4309 6.97182 5.93129 numMergedOcc 0
32 mol 220 unq 0 iso 0 dist 7.31105 12.3402 6.84247 7.84277 6.99002 11.5311 numMergedOcc 0
33 mol 220 unq 0 iso 1 dist 7.31105 7.84277 6.99002 12.3402 6.84247 11.5311 numMergedOcc 0
34 mol 224 unq 0 iso 0 dist 6.56437 11.7838 7.06793 10.4999 6.67585 6.88258 numMergedOcc 0
35 mol 224 unq 0 iso 1 dist 6.56437 10.4999 6.67585 11.7838 7.06793 6.88258 numMergedOcc 0
36 mol 224 unq 1 iso 0 dist 6.23882 9.57742 7.06793 12.0368 6.67585 6.88258 numMergedOcc 0
37 mol 224 unq 1 iso 1 dist 6.23882 12.0368 6.67585 9.57742 7.06793 6.88258 numMergedOcc 0
38 mol 224 unq 2 iso 0 dist 9.53131 8.30442 7.06793 4.63666 6.67585 6.88258 numMergedOcc 0
39 mol 224 unq 2 iso 1 dist 9.53131 4.63666 6.67585 8.30442 7.06793 6.88258 numMergedOcc 0
40 mol 224 unq 3 iso 0 dist 9.34636 5.46434 7.06793 5.03449 6.67585 6.88258 numMergedOcc 0
41 mol 224 unq 3 iso 1 dist 9.34636 5.03449 6.67585 5.46434 7.06793 6.88258 numMergedOcc 0
42 mol 227 unq 0 iso 0 dist 9.18675 6.07589 5.86443 9.95811 7.22914 5.76653 numMergedOcc 0
43 mol 227 unq 0 iso 1 dist 9.18675 9.95811 7.22914 6.07589 5.86443 5.76653 numMergedOcc 0
44 mol 238 unq 0 iso 0 dist 5.24313 6.03021 6.55759 5.27451 7.02475 6.44245 numMergedOcc 0
45 mol 238 unq 0 iso 1 dist 5.24313 5.27451 7.02475 6.03021 6.55759 6.44245 numMergedOcc 0
46 mol 238 unq 1 iso 0 dist 5.24313 6.03021 6.55759 6.23871 7.67322 10.677 numMergedOcc 0
47 mol 238 unq 1 iso 1 dist 5.24313 6.23871 7.67322 6.03021 6.55759 10.677 numMergedOcc 0
48 mol 238 unq 2 iso 0 dist 5.24313 6.03021 6.55759 11.3884 7.19008 12.1411 numMergedOcc 0
49 mol 238 unq 2 iso 1 dist 5.24313 11.3884 7.19008 6.03021 6.55759 12.1411 numMergedOcc 0
50 mol 238 unq 1 iso 0 dist 5.24313 5.27451 7.02475 6.23871 7.67322 5.44694 numMergedOcc 0
51 mol 238 unq 1 iso 1 dist 5.24313 6.23871 7.67322 5.27451 7.02475 5.44694 numMergedOcc 0
52 mol 238 unq 2 iso 0 dist 5.24313 5.27451 7.02475 11.3884 7.19008 10.1756 numMergedOcc 0
53 mol 238 unq 2 iso 1 dist 5.24313 11.3884 7.19008 5.27451 7.02475 10.1756 numMergedOcc 0
54 mol 238 unq 2 iso 0 dist 5.24313 6.23871 7.67322 11.3884 7.19008 9.50847 numMergedOcc 0
55 mol 238 unq 2 iso 1 dist 5.24313 11.3884 7.19008 6.23871 7.67322 9.50847 numMergedOcc 0
56 mol 272 unq 0 iso 0 dist 9.1118 11.5698 9.09992 11.0654 6.16449 9.75529 numMergedOcc 0
57 mol 272 unq 0 iso 1 dist 9.1118 11.0654 6.16449 11.5698 9.09992 9.75529 numMergedOcc 0
58 mol 287 unq 0 iso 0 dist 9.6331 8.82942 7.04472 7.49834 6.4778 11.01 numMergedOcc 0
59 mol 287 unq 0 iso 1 dist 9.6331 7.49834 6.4778 8.82942 7.04472 11.01 numMergedOcc 0
60 mol 288 unq 0 iso 0 dist 9.6331 8.82942 7.04472 7.49834 6.4778 11.01 numMergedOcc 0
61 mol 288 unq 0 iso 1 dist 9.6331 7.49834 6.4778 8.82942 7.04472 11.01 numMergedOcc 0
62 mol 289 unq 0 iso 0 dist 9.6331 8.82942 7.04472 7.49834 6.4778 11.01 numMergedOcc 0
63 mol 289 unq 0 iso 1 dist 9.6331 7.49834 6.4778 8.82942 7.04472 11.01 numMergedOcc 0
