0 mol 1 unq 0 iso 0 dist 5.74199 9.78935 5.972 10.8375 11.5768 8.56884 16.1633 13.839 9.01967 9.00903 numMergedOcc 0
1 mol 16 unq 0 iso 0 dist 7.88676 9.47421 5.1298 12.558 9.18436 7.03948 10.8592 5.35079 6.2983 5.05803 numMergedOcc 0
2 mol 16 unq 1 iso 0 dist 7.88676 9.47421 5.1298 5.66097 5.84479 5.47769 10.8592 5.35079 6.2983 6.31718 numMergedOcc 0
3 mol 16 unq 2 iso 0 dist 7.88676 9.47421 5.1298 5.66097 5.84479 5.47769 7.46752 6.53177 5.94084 7.63133 numMergedOcc 0
4 mol 16 unq 3 iso 0 dist 7.88676 9.47421 5.1298 6.06561 8.67719 6.58035 7.46752 6.53177 5.94084 5.46498 numMergedOcc 0
5 mol 25 unq 0 iso 0 dist 9.65131 5.88852 9.78721 5.78908 10.0461 7.685 11.193 13.1005 8.43188 7.31767 numMergedOcc 0
6 mol 25 unq 1 iso 0 dist 9.65131 5.88852 9.78721 5.78908 10.0461 7.685 10.8651 14.8146 10.3635 6.03987 numMergedOcc 0
7 mol 25 unq 2 iso 0 dist 8.73572 5.88852 5.65976 5.78908 12.7733 7.685 11.193 13.8914 8.43188 7.31767 numMergedOcc 0
8 mol 25 unq 3 iso 0 dist 8.73572 5.88852 5.65976 5.78908 12.7733 7.685 10.8651 15.924 10.3635 6.03987 numMergedOcc 0
9 mol 64 unq 0 iso 0 dist 7.24183 8.64746 5.78769 9.95527 12.2258 8.68586 12.3873 10.9566 5.3948 9.67592 numMergedOcc 0
10 mol 100 unq 0 iso 0 dist 6.60356 6.0026 8.57632 6.89762 11.5472 8.72704 9.57498 14.3495 7.2495 6.45675 numMergedOcc 0
11 mol 100 unq 1 iso 0 dist 6.60356 6.0026 8.57632 6.89762 11.5472 8.72704 10.0165 16.2555 10.1589 7.47343 numMergedOcc 0
12 mol 100 unq 2 iso 0 dist 6.60356 6.0026 8.57632 6.89762 11.5472 8.72704 15.6218 20.1677 15.9331 8.86688 numMergedOcc 0
13 mol 102 unq 0 iso 0 dist 8.63522 6.793 7.99081 7.49575 12.8661 9.94856 9.0361 10.2218 5.498 7.36792 numMergedOcc 0
14 mol 102 unq 1 iso 0 dist 5.43401 6.793 6.83631 7.49575 9.10229 9.94856 9.0361 8.17186 5.498 7.36792 numMergedOcc 0
15 mol 220 unq 0 iso 0 dist 7.57712 5.00266 7.84277 6.19375 7.31105 6.99002 15.0279 14.6296 15.9568 9.23153 numMergedOcc 0
16 mol 220 unq 1 iso 0 dist 7.57712 5.00266 7.84277 6.19375 7.31105 6.99002 13.2107 9.52692 11.1321 8.24498 numMergedOcc 0
17 mol 220 unq 2 iso 0 dist 7.20255 5.00266 5.83946 6.19375 10.2676 6.99002 15.0279 19.1028 15.9568 9.23153 numMergedOcc 0
18 mol 220 unq 3 iso 0 dist 7.20255 5.00266 5.83946 6.19375 10.2676 6.99002 13.2107 13.0368 11.1321 8.24498 numMergedOcc 0
19 mol 224 unq 0 iso 0 dist 7.58998 8.76325 9.57742 6.87755 6.23882 7.06793 12.2287 15.0038 9.36098 8.95269 numMergedOcc 0
20 mol 236 unq 0 iso 0 dist 9.13126 5.77356 10.3827 5.27568 12.9448 7.17676 12.96 19.8998 11.8759 8.03456 numMergedOcc 0
21 mol 236 unq 1 iso 0 dist 9.13126 5.77356 10.3827 5.27568 12.9448 7.17676 10.8312 19.4534 11.3552 6.84306 numMergedOcc 0
22 mol 236 unq 2 iso 0 dist 9.13126 5.77356 10.3827 5.27568 12.9448 7.17676 11.2195 15.6894 6.04825 9.99038 numMergedOcc 0
23 mol 236 unq 3 iso 0 dist 9.13126 5.77356 10.3827 5.27568 12.9448 7.17676 14.0541 17.9247 12.6468 9.78037 numMergedOcc 0
24 mol 236 unq 4 iso 0 dist 9.13126 5.77356 10.3827 5.27568 12.9448 7.17676 6.73134 6.0258 6.40312 8.35971 numMergedOcc 0
25 mol 236 unq 5 iso 0 dist 9.13126 5.77356 10.3827 7.77821 15.1991 5.34718 12.96 19.8998 11.8759 9.81562 numMergedOcc 0
26 mol 236 unq 6 iso 0 dist 9.13126 5.77356 10.3827 7.77821 15.1991 5.34718 10.8312 19.4534 11.3552 7.68742 numMergedOcc 0
27 mol 236 unq 7 iso 0 dist 9.13126 5.77356 10.3827 7.77821 15.1991 5.34718 11.2195 15.6894 6.04825 6.27581 numMergedOcc 0
28 mol 236 unq 8 iso 0 dist 9.13126 9.24309 12.2148 5.27568 12.9448 6.68463 12.96 19.8998 9.07822 8.03456 numMergedOcc 0
29 mol 236 unq 9 iso 0 dist 9.13126 9.24309 12.2148 5.27568 12.9448 6.68463 10.8312 19.4534 11.6837 6.84306 numMergedOcc 0
30 mol 236 unq 10 iso 0 dist 9.13126 9.24309 12.2148 5.27568 12.9448 6.68463 11.2195 15.6894 8.8265 9.99038 numMergedOcc 0
31 mol 236 unq 11 iso 0 dist 9.13126 9.24309 12.2148 5.27568 12.9448 6.68463 14.0541 17.9247 5.80136 9.78037 numMergedOcc 0
32 mol 236 unq 12 iso 0 dist 9.13126 9.24309 12.2148 5.27568 12.9448 6.68463 6.73134 6.0258 6.2568 8.35971 numMergedOcc 0
33 mol 238 unq 0 iso 0 dist 5.57184 6.40309 6.23871 7.01206 5.24313 7.67322 13.8075 12.1448 12.6986 7.31233 numMergedOcc 0
34 mol 238 unq 1 iso 0 dist 5.57184 7.87164 10.1372 11.2453 16.0821 9.29858 11.7876 16.5687 13.069 5.72887 numMergedOcc 0
35 mol 248 unq 0 iso 0 dist 8.11968 9.83514 4.11367 9.48478 8.71859 6.07192 6.44967 4.53213 6.48757 7.69895 numMergedOcc 0
36 mol 248 unq 1 iso 0 dist 8.11968 9.83514 4.11367 9.48478 8.71859 6.07192 11.4848 6.33032 5.51827 7.21521 numMergedOcc 0
37 mol 248 unq 2 iso 0 dist 8.11968 9.83514 4.11367 9.48478 8.71859 6.07192 15.9246 11.762 9.29921 8.2965 numMergedOcc 0
38 mol 249 unq 0 iso 0 dist 6.18866 9.02486 4.16447 12.5843 7.29898 8.83735 12.4678 6.6173 5.23473 7.57994 numMergedOcc 0
39 mol 249 unq 1 iso 0 dist 6.18866 9.02486 4.16447 12.5843 7.29898 8.83735 15.0782 8.95486 7.38675 6.18582 numMergedOcc 0
40 mol 249 unq 2 iso 0 dist 9.3807 9.02486 6.74838 12.5843 8.91685 8.83735 12.4678 5.25611 5.23473 7.57994 numMergedOcc 0
41 mol 249 unq 3 iso 0 dist 9.3807 9.02486 6.74838 12.5843 8.91685 8.83735 15.0782 9.66184 7.38675 6.18582 numMergedOcc 0
42 mol 278 unq 0 iso 0 dist 8.87405 9.95186 4.8589 8.66976 9.82774 6.35287 15.1476 10.5903 6.07447 8.44326 numMergedOcc 0
43 mol 294 unq 0 iso 0 dist 8.60441 8.73893 7.47947 15.587 14.5766 9.03492 14.4559 12.9029 6.17102 8.15665 numMergedOcc 0
44 mol 294 unq 1 iso 0 dist 6.97558 8.73893 5.08713 15.587 13.9033 9.03492 14.4559 10.3757 6.17102 8.15665 numMergedOcc 0
