0 mol 24 unq 0 iso 0 dist 5.02954 4.82556 5.9372 14.5223 13.9367 9.73647 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 5.02954 4.82556 5.9372 9.3934 5.95865 7.26334 numMergedOcc 0
2 mol 24 unq 2 iso 0 dist 5.02954 4.82556 5.9372 6.01284 3.33439 5.78532 numMergedOcc 0
3 mol 24 unq 3 iso 0 dist 5.02954 6.25108 6.93597 9.3934 5.95865 6.19899 numMergedOcc 0
4 mol 24 unq 4 iso 0 dist 5.02954 6.25108 6.93597 6.01284 3.33439 8.49709 numMergedOcc 0
5 mol 24 unq 5 iso 0 dist 8.56274 11.8996 7.85986 16.4932 9.24731 6.61696 numMergedOcc 0
6 mol 24 unq 6 iso 0 dist 8.56274 11.8996 7.85986 11.96 11.1587 5.80953 numMergedOcc 0
7 mol 39 unq 0 iso 0 dist 5.00813 5.14532 9.02925 7.99016 6.92307 8.20298 numMergedOcc 0
8 mol 39 unq 1 iso 0 dist 5.00813 5.14532 9.02925 6.41793 7.52517 6.13351 numMergedOcc 0
9 mol 48 unq 0 iso 0 dist 5.54554 4.16161 6.13153 8.72469 6.13982 6.03404 numMergedOcc 0
10 mol 48 unq 1 iso 0 dist 6.84514 4.16161 5.7836 8.72469 6.71583 6.03404 numMergedOcc 0
11 mol 48 unq 2 iso 0 dist 8.95402 4.16161 5.89173 8.72469 5.12352 6.03404 numMergedOcc 0
12 mol 48 unq 3 iso 0 dist 5.5232 4.20245 5.8541 8.92642 6.15265 6.07052 numMergedOcc 0
13 mol 48 unq 4 iso 0 dist 7.05619 4.20245 5.82264 8.92642 6.77378 6.07052 numMergedOcc 0
14 mol 85 unq 0 iso 0 dist 9.81554 9.16969 6.46549 12.7019 5.41777 5.05893 numMergedOcc 0
15 mol 85 unq 1 iso 0 dist 9.81554 9.16969 6.46549 13.4665 5.85247 5.71866 numMergedOcc 0
16 mol 92 unq 0 iso 0 dist 7.7346 13.0818 9.69694 11.0654 8.74506 6.59716 numMergedOcc 0
17 mol 92 unq 1 iso 0 dist 7.7346 13.0818 9.69694 7.0561 3.70642 6.87506 numMergedOcc 0
18 mol 128 unq 0 iso 0 dist 6.28471 5.19611 7.4442 12.062 8.54267 9.59437 numMergedOcc 0
19 mol 141 unq 0 iso 0 dist 5.4206 12.612 8.40695 6.99125 3.37046 9.27009 numMergedOcc 0
20 mol 141 unq 1 iso 0 dist 9.56763 12.612 9.35867 6.99125 8.30017 9.27009 numMergedOcc 0
21 mol 141 unq 2 iso 0 dist 9.56763 14.2446 9.38036 20.8329 14.5559 6.65731 numMergedOcc 0
22 mol 146 unq 0 iso 0 dist 8.71836 7.20408 6.73137 13.3699 11.2635 9.23136 numMergedOcc 0
23 mol 158 unq 0 iso 0 dist 8.06621 10.8263 9.45696 6.11331 11.6769 9.97968 numMergedOcc 0
24 mol 169 unq 0 iso 0 dist 8.21203 7.77054 5.41121 15.1189 13.5169 9.15283 numMergedOcc 0
25 mol 186 unq 0 iso 0 dist 9.12783 6.16503 5.68985 12.2866 6.50779 6.56416 numMergedOcc 0
26 mol 186 unq 1 iso 0 dist 9.12783 6.16503 5.68985 8.31881 3.11607 6.88127 numMergedOcc 0
27 mol 188 unq 0 iso 0 dist 6.18257 5.0782 8.34477 7.79115 3.42559 8.66624 numMergedOcc 0
28 mol 193 unq 0 iso 0 dist 7.06636 12.4228 9.9042 14.309 9.3899 8.15661 numMergedOcc 0
29 mol 214 unq 0 iso 0 dist 6.20118 4.23527 5.05626 8.21997 3.14057 5.31416 numMergedOcc 0
30 mol 214 unq 1 iso 0 dist 6.20118 4.23527 5.05626 9.29924 7.87816 5.44533 numMergedOcc 0
