0 mol 7 unq 0 iso 0 dist 9.8603 16.6461 9.67164 20.3971 12.2041 5.99459 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 5.51421 4.7739 5.99459 13.5184 12.2041 9.67164 numMergedOcc 0
2 mol 8 unq 0 iso 0 dist 9.91301 13.8883 9.01112 16.9088 10.9495 6.56356 numMergedOcc 0
3 mol 8 unq 1 iso 0 dist 9.91301 13.8883 9.01112 15.6504 6.23795 7.62333 numMergedOcc 0
4 mol 16 unq 0 iso 0 dist 9.76968 5.36195 8.43054 8.8641 6.92781 6.57331 numMergedOcc 0
5 mol 25 unq 0 iso 0 dist 8.40051 13.591 9.48085 8.6396 10.9391 9.49421 numMergedOcc 0
6 mol 25 unq 1 iso 0 dist 8.6396 13.591 9.49421 8.40051 10.9391 9.48085 numMergedOcc 0
7 mol 30 unq 0 iso 0 dist 8.609 3.65941 6.74179 9.44073 5.34368 6.07517 numMergedOcc 0
8 mol 58 unq 0 iso 0 dist 6.36193 4.99692 9.22598 4.88613 4.81926 8.96727 numMergedOcc 0
9 mol 58 unq 1 iso 0 dist 4.88613 4.99692 8.96727 6.36193 4.81926 9.22598 numMergedOcc 0
10 mol 62 unq 0 iso 0 dist 8.1599 5.46563 6.9103 14.3699 8.62608 9.69044 numMergedOcc 0
11 mol 68 unq 0 iso 0 dist 8.04256 7.21365 7.39665 15.6992 14.224 9.8703 numMergedOcc 0
12 mol 68 unq 1 iso 0 dist 7.51075 6.56256 7.39665 14.0352 14.224 9.8703 numMergedOcc 0
13 mol 69 unq 0 iso 0 dist 5.47319 4.69809 5.99857 9.8809 8.99811 6.9362 numMergedOcc 0
14 mol 69 unq 1 iso 0 dist 9.8809 4.69809 6.9362 5.47319 8.99811 5.99857 numMergedOcc 0
15 mol 73 unq 0 iso 0 dist 6.18305 5.65986 7.4369 11.0671 5.4148 9.73086 numMergedOcc 0
16 mol 73 unq 1 iso 0 dist 8.06168 10.8798 5.61588 15.4463 8.07446 5.5087 numMergedOcc 0
17 mol 73 unq 2 iso 0 dist 8.06168 13.7267 7.83244 15.4463 8.07446 6.08682 numMergedOcc 0
18 mol 73 unq 3 iso 0 dist 8.67532 10.8441 5.61588 12.1964 8.07446 5.5087 numMergedOcc 0
19 mol 73 unq 4 iso 0 dist 8.67532 15.2203 7.83244 12.1964 8.07446 6.08682 numMergedOcc 0
20 mol 76 unq 0 iso 0 dist 8.58841 16.3337 9.85905 17.86 10.2879 6.72869 numMergedOcc 0
21 mol 78 unq 0 iso 0 dist 9.10981 9.89481 8.65848 13.9943 7.19663 6.85523 numMergedOcc 0
22 mol 78 unq 1 iso 0 dist 9.23023 13.8703 6.85523 13.6324 7.19663 8.65848 numMergedOcc 0
23 mol 88 unq 0 iso 0 dist 9.72689 10.0429 7.80898 17.1552 12.1547 7.51139 numMergedOcc 0
24 mol 88 unq 1 iso 0 dist 7.74197 11.151 7.80898 14.2965 12.1547 7.51139 numMergedOcc 0
25 mol 112 unq 0 iso 0 dist 5.17585 3.82552 4.22363 10.5503 6.34999 7.7988 numMergedOcc 0
26 mol 112 unq 1 iso 0 dist 5.17585 3.82552 4.22363 10.5069 6.72751 9.40824 numMergedOcc 0
27 mol 115 unq 0 iso 0 dist 5.02717 12.6105 9.42082 12.5189 7.69052 6.39384 numMergedOcc 0
28 mol 119 unq 0 iso 0 dist 6.18763 5.92411 8.95212 8.44385 10.9871 6.99446 numMergedOcc 0
29 mol 119 unq 1 iso 0 dist 6.18763 5.92411 8.95212 5.63005 9.93257 7.64052 numMergedOcc 0
30 mol 119 unq 2 iso 0 dist 8.44385 5.92411 6.99446 6.18763 10.9871 8.95212 numMergedOcc 0
31 mol 119 unq 3 iso 0 dist 8.44385 5.92411 6.99446 5.63005 4.85907 7.64052 numMergedOcc 0
32 mol 119 unq 4 iso 0 dist 5.63005 5.92411 7.64052 6.18763 9.93257 8.95212 numMergedOcc 0
33 mol 119 unq 5 iso 0 dist 5.63005 5.92411 7.64052 8.44385 4.85907 6.99446 numMergedOcc 0
34 mol 134 unq 0 iso 0 dist 9.92932 3.76211 7.21868 13.0095 5.62899 9.66543 numMergedOcc 0
35 mol 134 unq 1 iso 0 dist 9.92932 3.76211 7.21868 9.60411 5.49782 7.93372 numMergedOcc 0
36 mol 134 unq 2 iso 0 dist 9.60411 3.76211 7.93372 13.0095 10.7144 9.66543 numMergedOcc 0
37 mol 134 unq 3 iso 0 dist 9.60411 3.76211 7.93372 9.92932 5.49782 7.21868 numMergedOcc 0
38 mol 134 unq 4 iso 0 dist 9.60369 4.63732 9.66543 9.55556 5.62899 7.21868 numMergedOcc 0
39 mol 134 unq 5 iso 0 dist 9.60369 4.63732 9.66543 12.1043 10.7144 7.93372 numMergedOcc 0
40 mol 134 unq 6 iso 0 dist 9.55556 4.63732 7.21868 9.60369 5.62899 9.66543 numMergedOcc 0
41 mol 134 unq 7 iso 0 dist 9.55556 4.63732 7.21868 12.1043 5.49782 7.93372 numMergedOcc 0
42 mol 181 unq 0 iso 0 dist 9.58911 17.3349 8.59874 9.86845 6.01247 9.76212 numMergedOcc 0
43 mol 181 unq 1 iso 0 dist 9.84952 9.77747 9.01624 13.0935 11.5866 5.05973 numMergedOcc 0
44 mol 181 unq 2 iso 0 dist 7.41378 4.76079 5.05973 10.8641 11.5866 9.01624 numMergedOcc 0
45 mol 186 unq 0 iso 0 dist 8.96988 3.6848 8.90571 9.44405 7.09479 6.61112 numMergedOcc 0
46 mol 197 unq 0 iso 0 dist 8.3337 17.2264 9.10817 13.2564 5.43601 6.86828 numMergedOcc 0
47 mol 205 unq 0 iso 0 dist 8.10287 3.50446 8.4844 8.84602 10.817 7.21137 numMergedOcc 0
48 mol 207 unq 0 iso 0 dist 9.18896 5.10056 6.0563 10.3876 5.99308 9.98372 numMergedOcc 0
49 mol 207 unq 1 iso 0 dist 9.18896 3.94578 8.1244 10.3876 5.99308 9.1528 numMergedOcc 0
50 mol 218 unq 0 iso 0 dist 7.0843 3.5359 8.75536 7.73315 4.72474 7.33709 numMergedOcc 0
51 mol 218 unq 1 iso 0 dist 7.0843 3.5359 8.75536 6.9398 6.17651 6.67404 numMergedOcc 0
52 mol 218 unq 2 iso 0 dist 7.73315 3.5359 7.33709 7.0843 4.72474 8.75536 numMergedOcc 0
53 mol 218 unq 3 iso 0 dist 7.73315 3.5359 7.33709 6.9398 5.61978 6.67404 numMergedOcc 0
54 mol 218 unq 4 iso 0 dist 6.9398 3.5359 6.67404 7.0843 6.17651 8.75536 numMergedOcc 0
55 mol 218 unq 5 iso 0 dist 6.9398 3.5359 6.67404 7.73315 5.61978 7.33709 numMergedOcc 0
56 mol 229 unq 0 iso 0 dist 8.6537 3.72432 7.27993 8.75374 5.1556 9.51168 numMergedOcc 0
57 mol 229 unq 1 iso 0 dist 8.6537 3.72432 7.27993 5.57702 7.0298 6.95201 numMergedOcc 0
58 mol 229 unq 2 iso 0 dist 8.75374 3.72432 9.51168 8.6537 5.1556 7.27993 numMergedOcc 0
59 mol 229 unq 3 iso 0 dist 8.75374 3.72432 9.51168 5.57702 6.54885 6.95201 numMergedOcc 0
60 mol 229 unq 4 iso 0 dist 5.57702 3.72432 6.95201 8.6537 7.0298 7.27993 numMergedOcc 0
61 mol 229 unq 5 iso 0 dist 5.57702 3.72432 6.95201 8.75374 6.54885 9.51168 numMergedOcc 0
62 mol 234 unq 0 iso 0 dist 7.86368 9.8663 7.81215 11.8838 10.2693 5.64285 numMergedOcc 0
63 mol 257 unq 0 iso 0 dist 9.83721 14.007 7.81897 15.3011 5.74182 6.34915 numMergedOcc 0
64 mol 259 unq 0 iso 0 dist 5.90645 9.54522 9.07743 9.73107 4.69778 7.66153 numMergedOcc 0
65 mol 259 unq 1 iso 0 dist 8.06771 9.0675 9.46361 11.1503 6.96053 6.95511 numMergedOcc 0
66 mol 259 unq 2 iso 0 dist 9.54857 5.49348 5.85442 9.56653 9.98105 6.9899 numMergedOcc 0
67 mol 259 unq 3 iso 0 dist 9.54857 5.13138 6.95511 14.0139 6.96053 9.46361 numMergedOcc 0
68 mol 259 unq 4 iso 0 dist 6.42725 6.09466 6.9899 9.73341 9.98105 5.85442 numMergedOcc 0
69 mol 264 unq 0 iso 0 dist 7.36905 3.63202 5.90924 9.43335 7.07277 5.90058 numMergedOcc 0
70 mol 264 unq 1 iso 0 dist 7.36905 3.63202 5.90924 6.83408 8.96144 9.58916 numMergedOcc 0
71 mol 264 unq 2 iso 0 dist 6.83408 3.63202 9.58916 7.36905 8.96144 5.90924 numMergedOcc 0
72 mol 264 unq 3 iso 0 dist 6.83408 3.63202 9.58916 9.43335 14.3597 5.90058 numMergedOcc 0
73 mol 267 unq 0 iso 0 dist 9.62043 8.3484 7.34981 14.5482 5.91646 8.8293 numMergedOcc 0
74 mol 277 unq 0 iso 0 dist 9.77689 17.8399 9.57499 17.2403 7.69449 5.46926 numMergedOcc 0
75 mol 277 unq 1 iso 0 dist 9.77689 17.8399 9.57499 19.3912 11.8268 8.9682 numMergedOcc 0
76 mol 277 unq 2 iso 0 dist 8.51931 6.17642 9.57499 8.96343 7.69449 5.46926 numMergedOcc 0
77 mol 277 unq 3 iso 0 dist 8.51931 6.17642 9.57499 9.71491 11.8268 8.9682 numMergedOcc 0
78 mol 277 unq 4 iso 0 dist 8.96343 6.17642 5.46926 8.51931 7.69449 9.57499 numMergedOcc 0
79 mol 277 unq 5 iso 0 dist 8.96343 6.17642 5.46926 9.71491 7.08227 8.9682 numMergedOcc 0
80 mol 277 unq 6 iso 0 dist 8.96343 8.24206 5.13913 9.71491 7.08227 6.92711 numMergedOcc 0
81 mol 277 unq 7 iso 0 dist 9.29635 12.2421 8.9682 17.8158 11.8268 9.57499 numMergedOcc 0
82 mol 277 unq 8 iso 0 dist 9.29635 12.2421 8.9682 14.3464 7.08227 5.46926 numMergedOcc 0
83 mol 277 unq 9 iso 0 dist 9.29635 10.9521 6.92711 14.3464 7.08227 5.13913 numMergedOcc 0
84 mol 292 unq 0 iso 0 dist 9.6898 18.4042 9.9182 19.0288 10.3106 7.30758 numMergedOcc 0
85 mol 292 unq 1 iso 0 dist 9.6898 18.4042 9.9182 20.8961 12.1693 9.10788 numMergedOcc 0
86 mol 292 unq 2 iso 0 dist 9.6898 14.5738 8.9221 20.8961 12.1693 8.85064 numMergedOcc 0
87 mol 292 unq 3 iso 0 dist 5.75596 6.65781 9.9182 10.9895 10.3106 7.30758 numMergedOcc 0
88 mol 292 unq 4 iso 0 dist 5.75596 6.65781 9.9182 8.37867 12.1693 9.10788 numMergedOcc 0
89 mol 292 unq 5 iso 0 dist 5.75596 4.00064 8.9221 8.37867 12.1693 8.85064 numMergedOcc 0
90 mol 292 unq 6 iso 0 dist 8.37867 6.65781 9.10788 5.75596 12.1693 9.9182 numMergedOcc 0
91 mol 292 unq 7 iso 0 dist 8.37867 6.65781 9.10788 10.9895 12.6861 7.30758 numMergedOcc 0
92 mol 292 unq 8 iso 0 dist 8.37867 4.00064 8.85064 5.75596 12.1693 8.9221 numMergedOcc 0
93 mol 292 unq 9 iso 0 dist 9.20416 12.3704 8.38121 18.2037 11.8061 9.90967 numMergedOcc 0
94 mol 292 unq 10 iso 0 dist 7.53641 15.5666 8.38121 16.8329 11.8061 9.90967 numMergedOcc 0
