0 mol 16 unq 0 iso 0 dist 8.47315 5.59769 4.7319 12.1062 6.72833 6.51133 12.2105 6.86055 7.65889 5.94982 numMergedOcc 0
1 mol 16 unq 1 iso 0 dist 8.33883 5.38671 5.05803 10.2885 6.93532 5.30082 11.3479 5.01101 6.42835 5.94982 numMergedOcc 0
2 mol 16 unq 2 iso 0 dist 8.33883 5.45161 6.31718 10.2885 6.93532 10.4366 11.3479 5.01101 11.0298 5.94982 numMergedOcc 0
3 mol 24 unq 0 iso 0 dist 9.90845 9.59761 8.86116 14.9821 8.60554 8.52463 19.1964 14.8647 12.5088 6.61696 numMergedOcc 0
4 mol 24 unq 1 iso 0 dist 9.90845 9.59761 8.86116 14.9821 8.60554 8.52463 10.1898 5.11636 7.95042 5.80953 numMergedOcc 0
5 mol 24 unq 2 iso 0 dist 9.90845 9.59761 8.86116 13.0288 8.44664 10.971 9.03541 4.79736 12.3058 9.98592 numMergedOcc 0
6 mol 24 unq 3 iso 0 dist 9.90845 9.59761 8.86116 18.8056 9.44691 13.4893 23.3461 14.4081 17.9275 9.586 numMergedOcc 0
7 mol 24 unq 4 iso 0 dist 9.90845 9.89489 8.38394 14.9821 8.60554 12.3994 19.1964 14.8647 17.9146 6.61696 numMergedOcc 0
8 mol 24 unq 5 iso 0 dist 9.90845 9.89489 8.38394 14.9821 8.60554 12.3994 10.1898 5.11636 10.9819 5.80953 numMergedOcc 0
9 mol 24 unq 6 iso 0 dist 9.90845 9.89489 8.38394 13.0288 8.44664 5.30734 9.03541 4.79736 10.6772 9.98592 numMergedOcc 0
10 mol 24 unq 7 iso 0 dist 9.90845 9.89489 8.38394 18.8056 9.44691 12.505 23.3461 14.4081 19.8965 9.586 numMergedOcc 0
11 mol 58 unq 0 iso 0 dist 7.84983 11.5882 6.62496 6.64072 5.93884 5.78774 8.63912 4.23671 10.2845 9.53438 numMergedOcc 0
12 mol 58 unq 1 iso 0 dist 9.56737 11.5882 6.35756 6.64072 7.68678 5.78774 8.63912 5.6823 10.2845 9.53438 numMergedOcc 0
13 mol 73 unq 0 iso 0 dist 6.89722 10.4716 9.96396 11.5412 9.24757 5.11416 9.71578 6.20232 12.2276 8.96616 numMergedOcc 0
14 mol 73 unq 1 iso 0 dist 6.89722 10.4716 9.96396 11.5412 9.24757 5.11416 10.1662 5.70116 9.73086 6.14542 numMergedOcc 0
15 mol 73 unq 2 iso 0 dist 6.89722 5.2774 6.19304 11.5412 9.24757 6.56633 9.71578 6.20232 8.68662 8.96616 numMergedOcc 0
16 mol 73 unq 3 iso 0 dist 6.89722 5.2774 6.19304 11.5412 9.24757 6.56633 10.1662 5.70116 7.4369 6.14542 numMergedOcc 0
17 mol 73 unq 4 iso 0 dist 6.89722 13.9156 8.70481 11.5412 9.24757 15.3808 9.71578 6.20232 13.8931 8.96616 numMergedOcc 0
18 mol 73 unq 5 iso 0 dist 6.89722 13.9156 8.70481 11.5412 9.24757 15.3808 10.1662 5.70116 12.8207 6.14542 numMergedOcc 0
19 mol 73 unq 6 iso 0 dist 7.26679 8.31041 9.96396 11.2253 9.24757 5.11416 12.3622 6.20232 12.2276 8.96616 numMergedOcc 0
20 mol 73 unq 7 iso 0 dist 7.26679 8.31041 9.96396 11.2253 9.24757 5.11416 11.4233 5.70116 9.73086 6.14542 numMergedOcc 0
21 mol 73 unq 8 iso 0 dist 7.26679 5.44275 6.19304 11.2253 9.24757 6.56633 12.3622 6.20232 8.68662 8.96616 numMergedOcc 0
22 mol 73 unq 9 iso 0 dist 7.26679 5.44275 6.19304 11.2253 9.24757 6.56633 11.4233 5.70116 7.4369 6.14542 numMergedOcc 0
23 mol 73 unq 10 iso 0 dist 7.26679 11.2674 8.70481 11.2253 9.24757 15.3808 12.3622 6.20232 13.8931 8.96616 numMergedOcc 0
24 mol 73 unq 11 iso 0 dist 7.26679 11.2674 8.70481 11.2253 9.24757 15.3808 11.4233 5.70116 12.8207 6.14542 numMergedOcc 0
25 mol 119 unq 0 iso 0 dist 6.49205 5.19198 6.18601 6.25204 8.00003 10.4376 11.2742 9.85023 13.6983 6.18678 numMergedOcc 0
26 mol 133 unq 0 iso 0 dist 6.11955 7.96098 6.80239 4.7146 5.87634 4.54648 10.271 13.7612 8.77023 8.83732 numMergedOcc 0
27 mol 181 unq 0 iso 0 dist 7.44191 9.60754 8.03334 6.70394 6.46704 4.43096 12.8989 6.28125 10.0802 9.06571 numMergedOcc 0
28 mol 181 unq 1 iso 0 dist 7.44191 9.60754 8.03334 6.70394 6.46704 4.43096 11.3022 6.50233 9.76212 7.35884 numMergedOcc 0
29 mol 181 unq 2 iso 0 dist 7.44191 9.60754 8.03334 11.2787 6.59025 8.04639 12.8989 6.28125 10.0802 9.88897 numMergedOcc 0
30 mol 181 unq 3 iso 0 dist 6.00053 11.1879 8.03334 10.8517 6.46704 4.43096 11.558 6.28125 10.0802 9.06571 numMergedOcc 0
31 mol 181 unq 4 iso 0 dist 6.00053 11.1879 8.03334 10.8517 6.46704 4.43096 12.4544 6.50233 9.76212 7.35884 numMergedOcc 0
32 mol 181 unq 5 iso 0 dist 6.00053 11.1879 8.03334 5.87168 6.59025 8.04639 11.558 6.28125 10.0802 9.88897 numMergedOcc 0
33 mol 227 unq 0 iso 0 dist 9.17826 16.2594 9.34734 16.3489 7.43071 6.00424 11.1592 5.0317 10.7855 9.18728 numMergedOcc 0
34 mol 227 unq 1 iso 0 dist 9.17826 16.2594 9.34734 5.75236 5.41321 10.7656 11.1592 5.0317 10.7855 8.91971 numMergedOcc 0
35 mol 227 unq 2 iso 0 dist 9.17826 14.9329 7.22101 16.3489 7.43071 6.35849 11.1592 5.0317 5.23634 9.18728 numMergedOcc 0
36 mol 227 unq 3 iso 0 dist 9.17826 14.9329 7.22101 5.75236 5.41321 10.9607 11.1592 5.0317 5.23634 8.91971 numMergedOcc 0
37 mol 227 unq 4 iso 0 dist 9.17826 13.2783 8.65997 16.3489 7.43071 10.204 11.1592 5.0317 6.91318 9.18728 numMergedOcc 0
38 mol 227 unq 5 iso 0 dist 9.17826 13.2783 8.65997 5.75236 5.41321 9.72615 11.1592 5.0317 6.91318 8.91971 numMergedOcc 0
39 mol 227 unq 6 iso 0 dist 9.17826 10.6504 7.56888 16.3489 7.43071 9.76735 11.1592 5.0317 11.2661 9.18728 numMergedOcc 0
40 mol 227 unq 7 iso 0 dist 9.17826 10.6504 7.56888 5.75236 5.41321 5.10635 11.1592 5.0317 11.2661 8.91971 numMergedOcc 0
41 mol 227 unq 8 iso 0 dist 9.17826 11.4528 7.55216 16.3489 7.43071 9.32448 11.1592 5.0317 12.3663 9.18728 numMergedOcc 0
42 mol 227 unq 9 iso 0 dist 9.17826 11.4528 7.55216 5.75236 5.41321 6.48027 11.1592 5.0317 12.3663 8.91971 numMergedOcc 0
43 mol 227 unq 10 iso 0 dist 9.64299 7.69739 7.09863 9.17153 6.02296 6.35849 10.3251 5.83175 5.23634 9.18728 numMergedOcc 0
44 mol 229 unq 0 iso 0 dist 9.84492 11.9226 8.22528 10.8309 8.66332 6.65022 14.7472 5.70473 7.27993 9.37336 numMergedOcc 0
45 mol 234 unq 0 iso 0 dist 5.00515 5.16023 8.41436 10.6768 7.32499 10.7902 17.307 13.1872 17.3846 7.77911 numMergedOcc 0
46 mol 234 unq 1 iso 0 dist 5.00515 10.2063 8.92474 10.6768 7.32499 4.4288 17.307 13.1872 11.3419 7.77911 numMergedOcc 0
