0 mol 7 unq 0 iso 0 dist 5.51421 7.81271 5.13353 4.7739 5.99459 10.1349 numMergedOcc 0
1 mol 8 unq 0 iso 0 dist 9.91301 7.46102 8.4069 13.8883 9.01112 12.536 numMergedOcc 0
2 mol 8 unq 1 iso 0 dist 9.91301 9.47227 5.27819 13.8883 9.01112 13.4286 numMergedOcc 0
3 mol 25 unq 0 iso 0 dist 8.40051 8.6396 10.9391 6.29702 4.79873 12.3944 numMergedOcc 0
4 mol 25 unq 1 iso 0 dist 8.40051 8.6396 10.9391 13.591 9.48085 9.49421 numMergedOcc 0
5 mol 25 unq 2 iso 0 dist 8.6396 8.40051 10.9391 10.0172 7.52933 16.4232 numMergedOcc 0
6 mol 25 unq 3 iso 0 dist 8.6396 8.40051 10.9391 5.23233 6.55597 11.037 numMergedOcc 0
7 mol 25 unq 4 iso 0 dist 8.6396 8.40051 10.9391 13.5673 9.71956 14.581 numMergedOcc 0
8 mol 25 unq 5 iso 0 dist 8.6396 8.40051 10.9391 10.4709 7.07751 13.0315 numMergedOcc 0
9 mol 25 unq 6 iso 0 dist 8.6396 8.40051 10.9391 12.2787 8.23761 17.2964 numMergedOcc 0
10 mol 25 unq 7 iso 0 dist 8.6396 8.40051 10.9391 13.591 9.49421 9.48085 numMergedOcc 0
11 mol 25 unq 8 iso 0 dist 7.63928 8.88413 10.2779 4.88495 7.99919 13.3069 numMergedOcc 0
12 mol 25 unq 9 iso 0 dist 7.63928 9.87281 4.51512 4.88495 7.99919 11.0249 numMergedOcc 0
13 mol 58 unq 0 iso 0 dist 6.36193 4.88613 4.81926 4.99692 9.22598 8.96727 numMergedOcc 0
14 mol 58 unq 1 iso 0 dist 4.88613 6.36193 4.81926 4.99692 8.96727 9.22598 numMergedOcc 0
15 mol 58 unq 2 iso 0 dist 4.88613 6.36193 4.81926 3.70586 8.01308 9.55996 numMergedOcc 0
16 mol 69 unq 0 iso 0 dist 5.47319 9.8809 8.99811 4.69809 5.99857 6.9362 numMergedOcc 0
17 mol 69 unq 1 iso 0 dist 9.8809 5.47319 8.99811 4.69809 6.9362 5.99857 numMergedOcc 0
18 mol 88 unq 0 iso 0 dist 7.74197 7.86537 5.57085 11.151 7.80898 12.785 numMergedOcc 0
19 mol 88 unq 1 iso 0 dist 7.74197 6.35462 9.94966 11.151 7.80898 13.6401 numMergedOcc 0
20 mol 95 unq 0 iso 0 dist 9.65047 8.69069 15.3836 8.55456 9.3948 16.1071 numMergedOcc 0
21 mol 95 unq 1 iso 0 dist 9.65047 8.69069 15.3836 3.84879 9.74607 12.242 numMergedOcc 0
22 mol 112 unq 0 iso 0 dist 7.53905 7.15985 10.838 3.61827 9.05166 10.2348 numMergedOcc 0
23 mol 112 unq 1 iso 0 dist 7.53905 7.15985 10.838 3.78964 5.56994 9.95699 numMergedOcc 0
24 mol 119 unq 0 iso 0 dist 6.18763 8.82535 4.72062 5.92411 8.95212 11.0072 numMergedOcc 0
25 mol 119 unq 1 iso 0 dist 6.18763 8.44385 10.9871 5.92411 8.95212 6.99446 numMergedOcc 0
26 mol 119 unq 2 iso 0 dist 6.18763 5.63005 9.93257 5.92411 8.95212 7.64052 numMergedOcc 0
27 mol 119 unq 3 iso 0 dist 8.44385 8.82535 10.0278 5.92411 6.99446 11.0072 numMergedOcc 0
28 mol 119 unq 4 iso 0 dist 8.44385 6.18763 10.9871 5.92411 6.99446 8.95212 numMergedOcc 0
29 mol 119 unq 5 iso 0 dist 8.44385 5.63005 4.85907 5.92411 6.99446 7.64052 numMergedOcc 0
30 mol 119 unq 6 iso 0 dist 5.63005 8.82535 9.93385 5.92411 7.64052 11.0072 numMergedOcc 0
31 mol 119 unq 7 iso 0 dist 5.63005 6.18763 9.93257 5.92411 7.64052 8.95212 numMergedOcc 0
32 mol 119 unq 8 iso 0 dist 5.63005 8.44385 4.85907 5.92411 7.64052 6.99446 numMergedOcc 0
33 mol 129 unq 0 iso 0 dist 9.28278 8.78082 10.5871 9.05571 5.51197 12.8996 numMergedOcc 0
34 mol 129 unq 1 iso 0 dist 9.28278 8.78082 10.5871 9.63308 6.69691 15.3611 numMergedOcc 0
35 mol 129 unq 2 iso 0 dist 9.28278 8.78082 10.5871 14.5546 8.86944 18.9289 numMergedOcc 0
36 mol 133 unq 0 iso 0 dist 5.82404 9.50322 8.18495 11.5628 8.77023 12.5855 numMergedOcc 0
37 mol 134 unq 0 iso 0 dist 9.92932 9.60411 5.49782 3.76211 7.21868 7.93372 numMergedOcc 0
38 mol 134 unq 1 iso 0 dist 9.60411 9.92932 5.49782 11.6349 9.33924 13.9752 numMergedOcc 0
39 mol 134 unq 2 iso 0 dist 9.60411 9.92932 5.49782 3.76211 7.93372 7.21868 numMergedOcc 0
40 mol 134 unq 3 iso 0 dist 9.60369 9.55556 5.62899 4.63732 9.66543 7.21868 numMergedOcc 0
41 mol 134 unq 4 iso 0 dist 9.55556 9.60369 5.62899 4.63732 7.21868 9.66543 numMergedOcc 0
42 mol 197 unq 0 iso 0 dist 8.3337 5.41292 6.75702 17.2264 9.10817 15.5058 numMergedOcc 0
43 mol 197 unq 1 iso 0 dist 8.3337 5.41292 6.75702 5.5875 9.73548 10.1477 numMergedOcc 0
44 mol 205 unq 0 iso 0 dist 8.10287 5.4913 9.33648 3.50446 8.4844 8.95122 numMergedOcc 0
45 mol 218 unq 0 iso 0 dist 7.0843 7.73315 4.72474 3.5359 8.75536 7.33709 numMergedOcc 0
46 mol 218 unq 1 iso 0 dist 7.0843 6.9398 6.17651 3.5359 8.75536 6.67404 numMergedOcc 0
47 mol 218 unq 2 iso 0 dist 7.73315 7.0843 4.72474 3.5359 7.33709 8.75536 numMergedOcc 0
48 mol 218 unq 3 iso 0 dist 7.73315 6.9398 5.61978 3.5359 7.33709 6.67404 numMergedOcc 0
49 mol 218 unq 4 iso 0 dist 6.9398 7.0843 6.17651 3.5359 6.67404 8.75536 numMergedOcc 0
50 mol 218 unq 5 iso 0 dist 6.9398 7.73315 5.61978 3.5359 6.67404 7.33709 numMergedOcc 0
51 mol 229 unq 0 iso 0 dist 8.6537 8.75374 5.1556 3.72432 7.27993 9.51168 numMergedOcc 0
52 mol 229 unq 1 iso 0 dist 8.6537 7.10634 10.6558 3.72432 7.27993 10.218 numMergedOcc 0
53 mol 229 unq 2 iso 0 dist 8.6537 5.57702 7.0298 3.72432 7.27993 6.95201 numMergedOcc 0
54 mol 229 unq 3 iso 0 dist 8.75374 8.6537 5.1556 3.72432 9.51168 7.27993 numMergedOcc 0
55 mol 229 unq 4 iso 0 dist 8.75374 7.10634 6.87246 3.72432 9.51168 10.218 numMergedOcc 0
56 mol 229 unq 5 iso 0 dist 8.75374 5.57702 6.54885 3.72432 9.51168 6.95201 numMergedOcc 0
57 mol 229 unq 6 iso 0 dist 5.57702 8.6537 7.0298 3.72432 6.95201 7.27993 numMergedOcc 0
58 mol 229 unq 7 iso 0 dist 5.57702 8.75374 6.54885 3.72432 6.95201 9.51168 numMergedOcc 0
59 mol 229 unq 8 iso 0 dist 5.57702 7.10634 7.08329 3.72432 6.95201 10.218 numMergedOcc 0
60 mol 257 unq 0 iso 0 dist 7.82899 6.36911 5.6276 14.9352 8.83833 14.3015 numMergedOcc 0
61 mol 264 unq 0 iso 0 dist 7.36905 6.83408 8.96144 3.63202 5.90924 9.58916 numMergedOcc 0
62 mol 264 unq 1 iso 0 dist 6.83408 7.36905 8.96144 3.63202 9.58916 5.90924 numMergedOcc 0
63 mol 277 unq 0 iso 0 dist 8.51931 8.96343 7.69449 6.17642 9.57499 5.46926 numMergedOcc 0
64 mol 277 unq 1 iso 0 dist 8.96343 8.51931 7.69449 6.17642 5.46926 9.57499 numMergedOcc 0
65 mol 277 unq 2 iso 0 dist 8.96343 8.51931 7.69449 8.24206 5.13913 11.4389 numMergedOcc 0
66 mol 292 unq 0 iso 0 dist 5.75596 9.11438 10.0122 6.65781 9.9182 10.3441 numMergedOcc 0
67 mol 292 unq 1 iso 0 dist 5.75596 9.11438 10.0122 4.00064 8.9221 11.1255 numMergedOcc 0
68 mol 292 unq 2 iso 0 dist 5.75596 8.37867 12.1693 6.65781 9.9182 9.10788 numMergedOcc 0
69 mol 292 unq 3 iso 0 dist 5.75596 8.37867 12.1693 4.00064 8.9221 8.85064 numMergedOcc 0
70 mol 292 unq 4 iso 0 dist 8.37867 5.75596 12.1693 6.65781 9.10788 9.9182 numMergedOcc 0
71 mol 292 unq 5 iso 0 dist 8.37867 5.75596 12.1693 4.00064 8.85064 8.9221 numMergedOcc 0
72 mol 292 unq 6 iso 0 dist 8.37867 9.11438 5.51626 6.65781 9.10788 10.3441 numMergedOcc 0
73 mol 292 unq 7 iso 0 dist 8.37867 9.11438 5.51626 4.00064 8.85064 11.1255 numMergedOcc 0
