0 mol 24 unq 0 iso 0 dist 6.85331 8.14598 5.69214 14.3935 12.2872 7.7447 numMergedOcc 0
1 mol 38 unq 0 iso 0 dist 8.86547 7.17698 6.37474 5.09927 6.87122 8.50003 numMergedOcc 0
2 mol 38 unq 1 iso 0 dist 8.86547 4.74069 6.10572 5.09927 6.87122 7.00717 numMergedOcc 0
3 mol 48 unq 0 iso 0 dist 5.36645 6.68961 7.14094 10.1874 9.54465 6.17378 numMergedOcc 0
4 mol 48 unq 1 iso 0 dist 8.89758 7.78899 6.474 10.1404 14.0367 8.29196 numMergedOcc 0
5 mol 53 unq 0 iso 0 dist 8.62669 8.79235 10.4432 14.8207 17.7194 9.32314 numMergedOcc 0
6 mol 56 unq 0 iso 0 dist 8.125 6.34748 5.16401 5.58299 9.94407 6.51117 numMergedOcc 0
7 mol 59 unq 0 iso 0 dist 6.46655 7.80026 6.08003 12.2403 9.45821 6.23509 numMergedOcc 0
8 mol 67 unq 0 iso 0 dist 7.9572 6.44825 9.25732 8.43533 12.4147 5.88409 numMergedOcc 0
9 mol 67 unq 1 iso 0 dist 8.64208 6.44825 13.625 8.43533 14.1749 5.88409 numMergedOcc 0
10 mol 76 unq 0 iso 0 dist 4.83274 6.97936 6.77898 11.6853 10.985 5.45099 numMergedOcc 0
11 mol 76 unq 1 iso 0 dist 4.83274 6.97936 6.77898 15.0489 12.8435 8.44765 numMergedOcc 0
12 mol 76 unq 2 iso 0 dist 4.83274 6.97936 6.77898 14.2393 10.6942 9.06643 numMergedOcc 0
13 mol 76 unq 3 iso 0 dist 7.89214 5.00466 6.77898 4.94673 10.985 5.45099 numMergedOcc 0
14 mol 76 unq 4 iso 0 dist 7.89214 5.00466 6.77898 5.78236 12.8435 8.44765 numMergedOcc 0
15 mol 76 unq 5 iso 0 dist 7.89214 5.00466 6.77898 4.73151 10.6942 9.06643 numMergedOcc 0
16 mol 158 unq 0 iso 0 dist 8.34161 4.89503 5.43727 6.50596 11.4999 6.77583 numMergedOcc 0
17 mol 158 unq 1 iso 0 dist 6.95381 4.89503 6.05886 6.50596 12.1854 6.77583 numMergedOcc 0
18 mol 171 unq 0 iso 0 dist 6.01711 9.67711 7.5383 14.9311 15.9711 9.68512 numMergedOcc 0
19 mol 186 unq 0 iso 0 dist 8.03597 9.76574 5.1409 16.9837 13.1744 8.17928 numMergedOcc 0
20 mol 198 unq 0 iso 0 dist 7.24395 7.7619 7.07534 5.46544 10.9115 7.04521 numMergedOcc 0
21 mol 198 unq 1 iso 0 dist 7.24395 7.7619 7.07534 6.14119 12.0473 8.85265 numMergedOcc 0
22 mol 214 unq 0 iso 0 dist 9.4835 8.44407 13.9529 10.4614 14.2676 9.59928 numMergedOcc 0
23 mol 214 unq 1 iso 0 dist 9.4835 6.0155 8.52282 10.4614 14.2676 7.70062 numMergedOcc 0
24 mol 214 unq 2 iso 0 dist 9.4835 6.0155 8.52282 9.84398 12.594 7.66702 numMergedOcc 0
25 mol 214 unq 3 iso 0 dist 9.4835 8.89981 8.48942 13.9172 14.8017 8.7434 numMergedOcc 0
26 mol 217 unq 0 iso 0 dist 5.10683 6.58871 4.64118 9.16386 9.96857 6.19602 numMergedOcc 0
27 mol 266 unq 0 iso 0 dist 7.72749 4.93584 4.74189 6.91113 8.97531 9.83672 numMergedOcc 0
28 mol 272 unq 0 iso 0 dist 8.82094 5.38409 5.12237 4.58591 10.0612 5.53492 numMergedOcc 0
29 mol 272 unq 1 iso 0 dist 9.80332 8.45524 5.12237 8.33955 10.0612 5.53492 numMergedOcc 0
30 mol 279 unq 0 iso 0 dist 5.17586 7.03656 8.4236 5.67885 10.8169 8.62266 numMergedOcc 0
