0 mol 13 unq 0 iso 0 dist 5.99004 6.00386 7.98679 6.44408 4.56335 5.78148 numMergedOcc 0
1 mol 13 unq 1 iso 0 dist 5.99004 6.00386 7.98679 10.7593 8.87621 6.26071 numMergedOcc 0
2 mol 13 unq 2 iso 0 dist 5.99004 6.00386 7.98679 13.9678 12.9999 8.43325 numMergedOcc 0
3 mol 13 unq 3 iso 0 dist 9.65051 9.78622 7.98679 11.55 4.56335 5.78148 numMergedOcc 0
4 mol 13 unq 4 iso 0 dist 9.65051 9.78622 7.98679 10.6358 8.87621 6.26071 numMergedOcc 0
5 mol 13 unq 5 iso 0 dist 9.65051 9.78622 7.98679 10.261 12.9999 8.43325 numMergedOcc 0
6 mol 44 unq 0 iso 0 dist 5.81645 5.75226 7.03307 9.34889 4.55437 7.52117 numMergedOcc 0
7 mol 44 unq 1 iso 0 dist 6.75026 5.75226 7.25707 9.34889 6.16231 7.52117 numMergedOcc 0
8 mol 76 unq 0 iso 0 dist 4.73362 7.18485 9.75201 5.56964 6.45686 7.27693 numMergedOcc 0
9 mol 76 unq 1 iso 0 dist 9.61367 8.88275 6.66954 5.56964 4.3931 4.79949 numMergedOcc 0
10 mol 76 unq 2 iso 0 dist 7.3795 12.7451 9.75201 12.885 6.45686 7.27693 numMergedOcc 0
11 mol 96 unq 0 iso 0 dist 9.87414 4.96607 7.3964 9.85392 5.04559 5.92032 numMergedOcc 0
12 mol 96 unq 1 iso 0 dist 8.9536 8.36645 7.3964 11.7176 5.04559 5.92032 numMergedOcc 0
13 mol 98 unq 0 iso 0 dist 8.48678 13.9427 8.43352 15.44 7.06961 7.26086 numMergedOcc 0
14 mol 98 unq 1 iso 0 dist 6.04768 10.8678 6.62972 7.00285 4.67519 5.88354 numMergedOcc 0
15 mol 98 unq 2 iso 0 dist 6.04768 10.8678 6.62972 10.3108 6.6076 7.89665 numMergedOcc 0
16 mol 98 unq 3 iso 0 dist 6.04768 10.8678 6.62972 13.7866 10.6513 5.39354 numMergedOcc 0
17 mol 98 unq 4 iso 0 dist 6.04768 10.8678 6.62972 11.8527 10.4027 5.74854 numMergedOcc 0
18 mol 98 unq 5 iso 0 dist 6.04768 10.8678 6.62972 17.2653 12.3568 8.76566 numMergedOcc 0
19 mol 98 unq 6 iso 0 dist 6.04768 10.8678 6.62972 19.5694 14.5457 8.8368 numMergedOcc 0
20 mol 98 unq 7 iso 0 dist 9.40173 13.5865 6.62972 8.02354 4.67519 5.88354 numMergedOcc 0
21 mol 98 unq 8 iso 0 dist 9.40173 13.5865 6.62972 10.1372 6.6076 7.89665 numMergedOcc 0
22 mol 98 unq 9 iso 0 dist 9.40173 13.5865 6.62972 14.6816 10.6513 5.39354 numMergedOcc 0
23 mol 98 unq 10 iso 0 dist 9.40173 13.5865 6.62972 13.7128 10.4027 5.74854 numMergedOcc 0
24 mol 98 unq 11 iso 0 dist 9.40173 13.5865 6.62972 17.8475 12.3568 8.76566 numMergedOcc 0
25 mol 98 unq 12 iso 0 dist 9.40173 13.5865 6.62972 21.577 14.5457 8.8368 numMergedOcc 0
26 mol 100 unq 0 iso 0 dist 6.36749 10.3606 9.5669 9.56324 9.75737 7.12017 numMergedOcc 0
27 mol 119 unq 0 iso 0 dist 8.05937 5.53632 9.9151 7.85527 7.45148 7.99623 numMergedOcc 0
28 mol 119 unq 1 iso 0 dist 9.57532 8.70712 7.91683 13.63 9.89358 7.77116 numMergedOcc 0
29 mol 119 unq 2 iso 0 dist 8.61574 6.89245 7.91683 8.88255 9.89358 7.77116 numMergedOcc 0
30 mol 130 unq 0 iso 0 dist 6.87196 11.923 9.13191 14.3553 8.01932 9.28592 numMergedOcc 0
31 mol 141 unq 0 iso 0 dist 8.61279 11.0112 6.94988 12.7314 7.42649 6.69515 numMergedOcc 0
32 mol 141 unq 1 iso 0 dist 8.61279 11.0112 6.94988 16.928 9.43674 7.86572 numMergedOcc 0
33 mol 156 unq 0 iso 0 dist 8.32841 14.911 7.46845 10.6253 5.81563 5.38091 numMergedOcc 0
34 mol 156 unq 1 iso 0 dist 6.56065 11.1159 7.46845 10.9888 5.81563 5.38091 numMergedOcc 0
35 mol 162 unq 0 iso 0 dist 8.24791 7.98745 8.21989 14.4304 9.0783 8.00506 numMergedOcc 0
36 mol 204 unq 0 iso 0 dist 6.62013 6.80235 5.91727 11.513 5.86489 6.85441 numMergedOcc 0
37 mol 210 unq 0 iso 0 dist 8.78652 5.20757 5.57779 12.598 5.85636 7.63018 numMergedOcc 0
38 mol 210 unq 1 iso 0 dist 9.01437 5.20757 7.05649 12.598 10.0337 7.63018 numMergedOcc 0
39 mol 220 unq 0 iso 0 dist 7.58118 6.71715 5.37796 6.21273 7.11498 5.45036 numMergedOcc 0
40 mol 227 unq 0 iso 0 dist 8.91452 5.98458 7.95359 10.8929 6.67321 5.87815 numMergedOcc 0
41 mol 239 unq 0 iso 0 dist 6.47859 5.71442 5.0804 8.7017 5.05321 8.67805 numMergedOcc 0
42 mol 248 unq 0 iso 0 dist 8.80866 9.94694 7.97135 11.505 4.30004 6.77954 numMergedOcc 0
43 mol 252 unq 0 iso 0 dist 9.1191 9.71846 7.39391 13.4304 6.35641 6.86945 numMergedOcc 0
44 mol 257 unq 0 iso 0 dist 6.8256 8.24228 9.43042 12.056 6.74593 9.69696 numMergedOcc 0
45 mol 264 unq 0 iso 0 dist 6.12402 5.86656 7.21655 9.5903 6.26382 6.04162 numMergedOcc 0
46 mol 264 unq 1 iso 0 dist 6.12402 5.86656 7.21655 6.8902 5.24812 6.14323 numMergedOcc 0
