0 mol 17 unq 0 iso 0 dist 9.5937 9.16861 10.7882 8.6745 3.79709 8.74446 numMergedOcc 0
1 mol 17 unq 1 iso 0 dist 7.34681 9.16861 9.91874 8.6745 11.8805 8.74446 numMergedOcc 0
2 mol 32 unq 0 iso 0 dist 9.28158 7.33936 4.57338 7.29783 3.95884 6.49199 numMergedOcc 0
3 mol 48 unq 0 iso 0 dist 9.53081 8.80334 16.9756 6.68961 5.93341 11.7517 numMergedOcc 0
4 mol 56 unq 0 iso 0 dist 9.06142 6.28472 7.18997 6.34748 9.83589 4.7564 numMergedOcc 0
5 mol 56 unq 1 iso 0 dist 9.06142 6.28472 7.18997 8.25594 13.3076 8.53367 numMergedOcc 0
6 mol 56 unq 2 iso 0 dist 9.06142 8.74881 10.9335 6.34748 9.83589 10.4308 numMergedOcc 0
7 mol 56 unq 3 iso 0 dist 9.06142 8.74881 10.9335 8.25594 13.3076 3.79961 numMergedOcc 0
8 mol 56 unq 4 iso 0 dist 8.41264 6.28472 8.66669 6.34748 12.3293 4.7564 numMergedOcc 0
9 mol 56 unq 5 iso 0 dist 8.41264 6.28472 8.66669 8.25594 9.40102 8.53367 numMergedOcc 0
10 mol 56 unq 6 iso 0 dist 8.41264 8.74881 7.7551 6.34748 12.3293 10.4308 numMergedOcc 0
11 mol 56 unq 7 iso 0 dist 8.41264 8.74881 7.7551 8.25594 9.40102 3.79961 numMergedOcc 0
12 mol 64 unq 0 iso 0 dist 8.86433 7.72437 7.71161 9.899 4.63989 9.29051 numMergedOcc 0
13 mol 71 unq 0 iso 0 dist 8.92529 6.59302 4.96361 7.50921 7.78799 4.36469 numMergedOcc 0
14 mol 71 unq 1 iso 0 dist 8.92529 9.93626 11.7369 7.50921 7.78799 7.62008 numMergedOcc 0
15 mol 129 unq 0 iso 0 dist 9.52061 7.65371 13.0969 8.57774 11.7456 7.58174 numMergedOcc 0
16 mol 168 unq 0 iso 0 dist 8.72323 9.16691 5.9767 5.03696 11.109 9.05528 numMergedOcc 0
17 mol 171 unq 0 iso 0 dist 6.19457 7.13078 3.96523 9.67711 10.9652 11.7688 numMergedOcc 0
18 mol 186 unq 0 iso 0 dist 9.2254 5.80433 11.9365 5.27578 12.8633 8.96928 numMergedOcc 0
19 mol 186 unq 1 iso 0 dist 9.2254 6.8285 13.7178 5.27578 12.8633 6.66771 numMergedOcc 0
20 mol 187 unq 0 iso 0 dist 5.58167 6.56642 6.47437 5.7938 8.06583 4.36904 numMergedOcc 0
21 mol 187 unq 1 iso 0 dist 5.58167 7.9625 10.7843 5.7938 8.06583 9.20573 numMergedOcc 0
22 mol 187 unq 2 iso 0 dist 8.0501 6.56642 7.95559 5.7938 3.94358 4.36904 numMergedOcc 0
23 mol 187 unq 3 iso 0 dist 8.0501 7.9625 9.27977 5.7938 3.94358 9.20573 numMergedOcc 0
24 mol 204 unq 0 iso 0 dist 6.20044 9.01377 13.2711 5.81438 7.35194 9.00714 numMergedOcc 0
25 mol 204 unq 1 iso 0 dist 8.41232 9.01377 10.5475 5.81438 5.87202 9.00714 numMergedOcc 0
26 mol 220 unq 0 iso 0 dist 6.39087 9.13234 7.56892 8.63649 4.4227 6.38339 numMergedOcc 0
27 mol 220 unq 1 iso 0 dist 6.80214 5.91133 7.67444 6.16832 3.95204 4.03073 numMergedOcc 0
28 mol 226 unq 0 iso 0 dist 8.74399 7.45381 12.3027 8.31266 5.27153 11.6435 numMergedOcc 0
29 mol 236 unq 0 iso 0 dist 4.71683 5.77356 4.71339 9.67162 10.7395 10.9455 numMergedOcc 0
30 mol 236 unq 1 iso 0 dist 4.71683 9.24309 11.3543 9.67162 10.7395 9.3486 numMergedOcc 0
31 mol 266 unq 0 iso 0 dist 8.8646 5.45375 8.73313 8.62843 9.70494 7.54682 numMergedOcc 0
32 mol 266 unq 1 iso 0 dist 8.8646 9.9145 13.3737 8.62843 9.70494 5.72821 numMergedOcc 0
33 mol 273 unq 0 iso 0 dist 5.78262 6.59786 8.67797 8.66133 5.53908 8.0478 numMergedOcc 0
34 mol 273 unq 1 iso 0 dist 5.78262 6.59786 8.67797 6.95569 12.7125 10.0013 numMergedOcc 0
35 mol 273 unq 2 iso 0 dist 5.78262 7.96519 13.2599 8.66133 5.53908 14.4172 numMergedOcc 0
36 mol 273 unq 3 iso 0 dist 5.78262 7.96519 13.2599 6.95569 12.7125 4.42663 numMergedOcc 0
37 mol 273 unq 4 iso 0 dist 7.6489 6.59786 9.47855 8.66133 12.7274 8.0478 numMergedOcc 0
38 mol 273 unq 5 iso 0 dist 7.6489 6.59786 9.47855 6.95569 10.8576 10.0013 numMergedOcc 0
39 mol 273 unq 6 iso 0 dist 7.6489 7.96519 10.9195 8.66133 12.7274 14.4172 numMergedOcc 0
40 mol 273 unq 7 iso 0 dist 7.6489 7.96519 10.9195 6.95569 10.8576 4.42663 numMergedOcc 0
41 mol 285 unq 0 iso 0 dist 7.872 7.61398 9.51445 5.49829 3.05975 8.8752 numMergedOcc 0
42 mol 285 unq 1 iso 0 dist 7.872 7.61398 9.51445 6.24134 11.5704 10.6055 numMergedOcc 0
43 mol 285 unq 2 iso 0 dist 6.32984 7.61398 11.5961 5.49829 5.76392 8.8752 numMergedOcc 0
44 mol 285 unq 3 iso 0 dist 6.32984 7.61398 11.5961 6.24134 4.4744 10.6055 numMergedOcc 0
