0 mol 7 unq 0 iso 0 dist 5.51421 7.81271 5.13353 10.3237 7.88043 12.8015 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 5.51421 7.81271 5.13353 13 8.80762 12.5387 numMergedOcc 0
2 mol 8 unq 0 iso 0 dist 7.46102 9.47227 6.31827 12.3138 7.3915 11.6326 numMergedOcc 0
3 mol 8 unq 1 iso 0 dist 7.46102 9.91301 8.4069 12.3138 7.3915 10.6335 numMergedOcc 0
4 mol 25 unq 0 iso 0 dist 8.40051 8.6396 10.9391 13.0772 6.90155 17.3821 numMergedOcc 0
5 mol 25 unq 1 iso 0 dist 8.6396 8.40051 10.9391 13.3963 6.6492 16.357 numMergedOcc 0
6 mol 112 unq 0 iso 0 dist 7.15985 7.53905 10.838 6.84906 8.729 13.6135 numMergedOcc 0
7 mol 115 unq 0 iso 0 dist 7.95871 9.80286 12.5968 7.39793 5.74857 15.2563 numMergedOcc 0
8 mol 119 unq 0 iso 0 dist 6.40546 7.91337 8.61848 6.00304 6.98934 13.1537 numMergedOcc 0
9 mol 119 unq 1 iso 0 dist 6.40546 7.91337 8.61848 6.64646 7.99623 12.8231 numMergedOcc 0
10 mol 119 unq 2 iso 0 dist 8.44385 8.82535 10.0278 9.79485 7.99857 16.0288 numMergedOcc 0
11 mol 119 unq 3 iso 0 dist 8.44385 6.18763 10.9871 9.79485 7.99857 14.6439 numMergedOcc 0
12 mol 119 unq 4 iso 0 dist 8.44385 5.63005 4.85907 9.79485 7.99857 8.56342 numMergedOcc 0
13 mol 119 unq 5 iso 0 dist 5.63005 8.82535 9.93385 9.79485 8.56342 16.0288 numMergedOcc 0
14 mol 119 unq 6 iso 0 dist 5.63005 8.82535 9.93385 6.81112 6.37542 14.7115 numMergedOcc 0
15 mol 119 unq 7 iso 0 dist 5.63005 6.18763 9.93257 9.79485 8.56342 14.6439 numMergedOcc 0
16 mol 119 unq 8 iso 0 dist 5.63005 6.18763 9.93257 6.81112 6.37542 12.8836 numMergedOcc 0
17 mol 119 unq 9 iso 0 dist 5.63005 8.44385 4.85907 9.79485 8.56342 7.99857 numMergedOcc 0
18 mol 119 unq 10 iso 0 dist 5.63005 8.44385 4.85907 6.81112 6.37542 10.4631 numMergedOcc 0
19 mol 134 unq 0 iso 0 dist 9.92932 9.60411 5.49782 8.2282 8.20836 10.873 numMergedOcc 0
20 mol 134 unq 1 iso 0 dist 9.60369 9.55556 5.62899 4.02705 7.36779 8.20836 numMergedOcc 0
21 mol 134 unq 2 iso 0 dist 9.55556 9.60369 5.62899 4.02705 8.20836 7.36779 numMergedOcc 0
22 mol 218 unq 0 iso 0 dist 7.0843 7.73315 4.72474 5.77167 6.29367 5.76954 numMergedOcc 0
23 mol 218 unq 1 iso 0 dist 7.0843 7.73315 4.72474 13.9605 8.86175 6.29511 numMergedOcc 0
24 mol 218 unq 2 iso 0 dist 7.0843 6.9398 6.17651 5.77167 6.29367 9.20961 numMergedOcc 0
25 mol 218 unq 3 iso 0 dist 7.0843 6.9398 6.17651 13.9605 8.86175 9.91544 numMergedOcc 0
26 mol 218 unq 4 iso 0 dist 7.73315 7.0843 4.72474 9.58139 8.06216 11.565 numMergedOcc 0
27 mol 218 unq 5 iso 0 dist 7.73315 7.0843 4.72474 5.77167 5.76954 6.29367 numMergedOcc 0
28 mol 218 unq 6 iso 0 dist 7.73315 7.0843 4.72474 13.9605 6.29511 8.86175 numMergedOcc 0
29 mol 218 unq 7 iso 0 dist 7.73315 6.9398 5.61978 9.58139 8.06216 11.5105 numMergedOcc 0
30 mol 218 unq 8 iso 0 dist 7.73315 6.9398 5.61978 5.77167 5.76954 9.20961 numMergedOcc 0
31 mol 218 unq 9 iso 0 dist 7.73315 6.9398 5.61978 13.9605 6.29511 9.91544 numMergedOcc 0
32 mol 218 unq 10 iso 0 dist 6.9398 7.0843 6.17651 5.77167 9.20961 6.29367 numMergedOcc 0
33 mol 218 unq 11 iso 0 dist 6.9398 7.73315 5.61978 5.77167 9.20961 5.76954 numMergedOcc 0
34 mol 229 unq 0 iso 0 dist 8.6537 8.75374 5.1556 7.78418 8.92743 11.2687 numMergedOcc 0
35 mol 229 unq 1 iso 0 dist 8.6537 7.10634 10.6558 7.78418 8.92743 12.4878 numMergedOcc 0
36 mol 229 unq 2 iso 0 dist 8.6537 5.57702 7.0298 7.78418 8.92743 5.77318 numMergedOcc 0
37 mol 229 unq 3 iso 0 dist 5.57702 8.6537 7.0298 7.78418 5.77318 8.92743 numMergedOcc 0
38 mol 229 unq 4 iso 0 dist 5.57702 8.75374 6.54885 7.78418 5.77318 11.2687 numMergedOcc 0
39 mol 229 unq 5 iso 0 dist 5.57702 7.10634 7.08329 7.78418 5.77318 12.4878 numMergedOcc 0
40 mol 237 unq 0 iso 0 dist 9.5822 9.42743 16.5066 6.08522 7.42587 12.2153 numMergedOcc 0
41 mol 251 unq 0 iso 0 dist 7.4878 9.228 6.46034 9.21735 8.01198 12.3353 numMergedOcc 0
42 mol 257 unq 0 iso 0 dist 7.82899 6.36911 5.6276 5.76954 9.95546 10.7265 numMergedOcc 0
43 mol 261 unq 0 iso 0 dist 8.65236 9.73983 7.00201 3.67304 5.26434 8.60026 numMergedOcc 0
44 mol 261 unq 1 iso 0 dist 9.73983 8.65236 7.00201 3.67304 8.60026 5.26434 numMergedOcc 0
45 mol 264 unq 0 iso 0 dist 7.36905 6.83408 8.96144 5.7394 7.52281 6.42588 numMergedOcc 0
46 mol 264 unq 1 iso 0 dist 6.83408 7.36905 8.96144 5.7394 6.42588 7.52281 numMergedOcc 0
47 mol 274 unq 0 iso 0 dist 8.49076 9.09967 12.8986 4.85537 7.52109 13.3817 numMergedOcc 0
48 mol 274 unq 1 iso 0 dist 8.49076 9.09967 12.8986 9.69449 7.44083 16.5935 numMergedOcc 0
49 mol 277 unq 0 iso 0 dist 8.51931 8.96343 7.69449 12.4389 6.57903 11.5506 numMergedOcc 0
