0 mol 7 unq 0 iso 0 dist 7.15434 8.75346 9.67164 11.9621 12.2041 5.99459 numMergedOcc 0
1 mol 8 unq 0 iso 0 dist 6.4754 4.67793 9.01112 10.2567 10.9495 6.56356 numMergedOcc 0
2 mol 8 unq 1 iso 0 dist 6.4754 4.67793 9.01112 7.3795 6.23795 7.62333 numMergedOcc 0
3 mol 8 unq 2 iso 0 dist 6.57999 11.5556 9.01112 13.8619 10.9495 6.56356 numMergedOcc 0
4 mol 8 unq 3 iso 0 dist 6.57999 11.5556 9.01112 12.3088 6.23795 7.62333 numMergedOcc 0
5 mol 8 unq 4 iso 0 dist 7.3795 4.67793 7.62333 10.2567 8.09332 6.56356 numMergedOcc 0
6 mol 8 unq 5 iso 0 dist 7.3795 4.67793 7.62333 6.4754 6.23795 9.01112 numMergedOcc 0
7 mol 16 unq 0 iso 0 dist 6.28033 6.64634 7.65889 12.3978 10.2656 6.42835 numMergedOcc 0
8 mol 30 unq 0 iso 0 dist 9.28932 6.01658 6.07517 6.83481 5.34368 6.74179 numMergedOcc 0
9 mol 30 unq 1 iso 0 dist 7.53042 8.34136 6.07517 11.534 5.34368 6.74179 numMergedOcc 0
10 mol 30 unq 2 iso 0 dist 6.83481 6.01658 6.74179 9.28932 5.34368 6.07517 numMergedOcc 0
11 mol 43 unq 0 iso 0 dist 9.17086 4.9903 6.6263 10.615 8.13395 6.75943 numMergedOcc 0
12 mol 69 unq 0 iso 0 dist 7.62791 6.98976 6.9362 11.7488 8.99811 5.99857 numMergedOcc 0
13 mol 72 unq 0 iso 0 dist 6.68311 8.89611 7.12321 10.1695 5.36766 9.74228 numMergedOcc 0
14 mol 72 unq 1 iso 0 dist 6.68311 8.89611 7.12321 10.1663 8.24309 6.21799 numMergedOcc 0
15 mol 72 unq 2 iso 0 dist 9.96602 9.64805 9.56773 10.1663 5.8486 5.03251 numMergedOcc 0
16 mol 73 unq 0 iso 0 dist 8.124 15.2252 7.4369 10.1112 5.4148 9.73086 numMergedOcc 0
17 mol 73 unq 1 iso 0 dist 8.16299 6.52486 5.5087 10.8051 8.07446 5.61588 numMergedOcc 0
18 mol 73 unq 2 iso 0 dist 8.16299 10.9731 6.08682 10.8051 8.07446 7.83244 numMergedOcc 0
19 mol 73 unq 3 iso 0 dist 8.27015 13.0059 5.5087 13.7608 8.07446 5.61588 numMergedOcc 0
20 mol 73 unq 4 iso 0 dist 8.27015 14.1533 6.08682 13.7608 8.07446 7.83244 numMergedOcc 0
21 mol 76 unq 0 iso 0 dist 8.41567 6.65453 6.72869 5.56964 10.2879 9.85905 numMergedOcc 0
22 mol 76 unq 1 iso 0 dist 5.56964 6.65453 9.85905 8.41567 10.2879 6.72869 numMergedOcc 0
23 mol 76 unq 2 iso 0 dist 6.62246 7.15288 6.72869 12.885 10.2879 9.85905 numMergedOcc 0
24 mol 100 unq 0 iso 0 dist 8.22596 13.0711 9.21662 17.8768 10.8375 8.91882 numMergedOcc 0
25 mol 109 unq 0 iso 0 dist 7.51061 11.231 7.86666 18.2456 17.2949 9.77497 numMergedOcc 0
26 mol 115 unq 0 iso 0 dist 8.97043 7.34308 6.39384 12.9647 7.69052 9.42082 numMergedOcc 0
27 mol 119 unq 0 iso 0 dist 8.62648 12.6962 7.64052 17.5132 9.93257 8.95212 numMergedOcc 0
28 mol 119 unq 1 iso 0 dist 8.62648 12.6962 7.64052 11.5266 4.85907 6.99446 numMergedOcc 0
29 mol 133 unq 0 iso 0 dist 9.79004 5.37122 8.26547 8.43069 5.61668 9.05342 numMergedOcc 0
30 mol 133 unq 1 iso 0 dist 8.43069 5.37122 9.05342 9.79004 5.61668 8.26547 numMergedOcc 0
31 mol 134 unq 0 iso 0 dist 7.27598 12.487 7.93372 16.7211 10.7144 9.66543 numMergedOcc 0
32 mol 134 unq 1 iso 0 dist 7.27598 12.487 7.93372 12.3933 5.49782 7.21868 numMergedOcc 0
33 mol 142 unq 0 iso 0 dist 9.14908 9.15345 6.14151 10.9228 5.32922 7.81207 numMergedOcc 0
34 mol 181 unq 0 iso 0 dist 8.90247 11.9701 9.76212 6.58792 6.01247 8.59874 numMergedOcc 0
35 mol 181 unq 1 iso 0 dist 6.58792 11.9701 8.59874 8.90247 6.01247 9.76212 numMergedOcc 0
36 mol 181 unq 2 iso 0 dist 9.18245 5.68795 5.05973 13.2054 11.5866 9.01624 numMergedOcc 0
37 mol 218 unq 0 iso 0 dist 4.851 6.13691 6.67404 9.89546 6.17651 8.75536 numMergedOcc 0
38 mol 218 unq 1 iso 0 dist 4.851 6.13691 6.67404 9.66527 5.61978 7.33709 numMergedOcc 0
39 mol 227 unq 0 iso 0 dist 9.60159 5.19262 5.23634 12.0857 5.22356 6.91318 numMergedOcc 0
40 mol 238 unq 0 iso 0 dist 9.38753 12.2802 6.99888 19.0401 10.1813 9.08509 numMergedOcc 0
41 mol 238 unq 1 iso 0 dist 7.64276 4.48114 9.12776 13.6759 15.7907 9.72188 numMergedOcc 0
42 mol 239 unq 0 iso 0 dist 6.83046 8.15025 6.73665 14.2656 11.347 9.34438 numMergedOcc 0
43 mol 239 unq 1 iso 0 dist 6.83046 8.15025 6.73665 14.3531 7.97994 9.35949 numMergedOcc 0
44 mol 264 unq 0 iso 0 dist 6.85672 4.97003 5.90058 10.4883 7.07277 5.90924 numMergedOcc 0
45 mol 264 unq 1 iso 0 dist 6.85672 4.97003 5.90058 13.9604 14.3597 9.58916 numMergedOcc 0
46 mol 264 unq 2 iso 0 dist 6.8902 9.58347 8.29262 9.5903 4.92077 9.19754 numMergedOcc 0
