0 mol 45 unq 0 iso 0 dist 8.85391 6.16767 6.06454 11.005 9.44459 5.24762 numMergedOcc 0
1 mol 45 unq 0 iso 1 dist 8.85391 11.005 9.44459 6.16767 6.06454 5.24762 numMergedOcc 0
2 mol 85 unq 0 iso 0 dist 9.27584 6.53819 8.00777 9.9705 7.1589 4.26409 numMergedOcc 0
3 mol 85 unq 0 iso 1 dist 9.27584 9.9705 7.1589 6.53819 8.00777 4.26409 numMergedOcc 0
4 mol 93 unq 0 iso 0 dist 8.16531 14.5206 9.81831 10.2104 9.12858 6.30447 numMergedOcc 0
5 mol 93 unq 0 iso 1 dist 8.16531 10.2104 9.12858 14.5206 9.81831 6.30447 numMergedOcc 0
6 mol 93 unq 1 iso 0 dist 8.16531 14.5206 9.81831 12.7325 9.4523 9.91939 numMergedOcc 0
7 mol 93 unq 1 iso 1 dist 8.16531 12.7325 9.4523 14.5206 9.81831 9.91939 numMergedOcc 0
8 mol 93 unq 1 iso 0 dist 8.16531 10.2104 9.12858 12.7325 9.4523 7.66728 numMergedOcc 0
9 mol 93 unq 1 iso 1 dist 8.16531 12.7325 9.4523 10.2104 9.12858 7.66728 numMergedOcc 0
10 mol 93 unq 2 iso 0 dist 8.98593 10.145 9.81831 13.574 9.12858 6.30447 numMergedOcc 0
11 mol 93 unq 2 iso 1 dist 8.98593 13.574 9.12858 10.145 9.81831 6.30447 numMergedOcc 0
12 mol 93 unq 3 iso 0 dist 8.98593 10.145 9.81831 16.236 9.4523 9.91939 numMergedOcc 0
13 mol 93 unq 3 iso 1 dist 8.98593 16.236 9.4523 10.145 9.81831 9.91939 numMergedOcc 0
14 mol 93 unq 3 iso 0 dist 8.98593 13.574 9.12858 16.236 9.4523 7.66728 numMergedOcc 0
15 mol 93 unq 3 iso 1 dist 8.98593 16.236 9.4523 13.574 9.12858 7.66728 numMergedOcc 0
16 mol 109 unq 0 iso 0 dist 8.71813 9.09837 8.67766 10.9676 8.0831 6.48636 numMergedOcc 0
17 mol 109 unq 0 iso 1 dist 8.71813 10.9676 8.0831 9.09837 8.67766 6.48636 numMergedOcc 0
18 mol 124 unq 0 iso 0 dist 7.28496 4.97215 8.97264 9.28205 8.80896 5.59807 numMergedOcc 0
19 mol 124 unq 0 iso 1 dist 7.28496 9.28205 8.80896 4.97215 8.97264 5.59807 numMergedOcc 0
20 mol 141 unq 0 iso 0 dist 8.02258 14.4768 6.69515 13.0477 7.86572 6.21253 numMergedOcc 0
21 mol 141 unq 0 iso 1 dist 8.02258 13.0477 7.86572 14.4768 6.69515 6.21253 numMergedOcc 0
22 mol 195 unq 0 iso 0 dist 7.92844 9.70055 6.60567 9.9116 7.62942 10.7531 numMergedOcc 0
23 mol 195 unq 0 iso 1 dist 7.92844 9.9116 7.62942 9.70055 6.60567 10.7531 numMergedOcc 0
24 mol 212 unq 0 iso 0 dist 4.72269 7.1502 8.57827 5.3615 6.29767 4.12932 numMergedOcc 0
25 mol 212 unq 0 iso 1 dist 4.72269 5.3615 6.29767 7.1502 8.57827 4.12932 numMergedOcc 0
26 mol 214 unq 0 iso 0 dist 5.96047 7.98893 7.05523 14.3395 8.46327 12.7897 numMergedOcc 0
27 mol 214 unq 0 iso 1 dist 5.96047 14.3395 8.46327 7.98893 7.05523 12.7897 numMergedOcc 0
28 mol 218 unq 0 iso 0 dist 5.8679 7.34507 8.86175 4.79566 6.29511 4.72474 numMergedOcc 0
29 mol 218 unq 0 iso 1 dist 5.8679 4.79566 6.29511 7.34507 8.86175 4.72474 numMergedOcc 0
30 mol 222 unq 0 iso 0 dist 5.98014 10.6512 9.2581 5.03763 9.62632 9.57159 numMergedOcc 0
31 mol 222 unq 0 iso 1 dist 5.98014 5.03763 9.62632 10.6512 9.2581 9.57159 numMergedOcc 0
32 mol 222 unq 1 iso 0 dist 5.98014 10.6512 9.2581 4.81992 7.862 10.5806 numMergedOcc 0
33 mol 222 unq 1 iso 1 dist 5.98014 4.81992 7.862 10.6512 9.2581 10.5806 numMergedOcc 0
34 mol 222 unq 1 iso 0 dist 5.98014 5.03763 9.62632 4.81992 7.862 6.9154 numMergedOcc 0
35 mol 222 unq 1 iso 1 dist 5.98014 4.81992 7.862 5.03763 9.62632 6.9154 numMergedOcc 0
36 mol 235 unq 0 iso 0 dist 9.49829 5.01259 6.39158 15.1887 7.75722 12.1984 numMergedOcc 0
37 mol 235 unq 0 iso 1 dist 9.49829 15.1887 7.75722 5.01259 6.39158 12.1984 numMergedOcc 0
38 mol 237 unq 0 iso 0 dist 6.32364 12.2535 9.4811 5.61566 6.50471 7.94444 numMergedOcc 0
39 mol 237 unq 0 iso 1 dist 6.32364 5.61566 6.50471 12.2535 9.4811 7.94444 numMergedOcc 0
40 mol 240 unq 0 iso 0 dist 8.67485 5.36005 9.47583 4.4564 8.44909 4.28414 numMergedOcc 0
41 mol 240 unq 0 iso 1 dist 8.67485 4.4564 8.44909 5.36005 9.47583 4.28414 numMergedOcc 0
42 mol 258 unq 0 iso 0 dist 8.35413 5.38982 6.70815 12.3699 7.99477 7.26417 numMergedOcc 0
43 mol 258 unq 0 iso 1 dist 8.35413 12.3699 7.99477 5.38982 6.70815 7.26417 numMergedOcc 0
44 mol 276 unq 0 iso 0 dist 4.92907 7.18694 6.70215 5.55879 7.25423 5.41205 numMergedOcc 0
45 mol 276 unq 0 iso 1 dist 4.92907 5.55879 7.25423 7.18694 6.70215 5.41205 numMergedOcc 0
46 mol 276 unq 1 iso 0 dist 4.92907 7.18694 6.70215 5.49958 7.88706 10.6102 numMergedOcc 0
47 mol 276 unq 1 iso 1 dist 4.92907 5.49958 7.88706 7.18694 6.70215 10.6102 numMergedOcc 0
48 mol 276 unq 2 iso 0 dist 4.92907 7.18694 6.70215 11.4256 7.23916 8.62129 numMergedOcc 0
49 mol 276 unq 2 iso 1 dist 4.92907 11.4256 7.23916 7.18694 6.70215 8.62129 numMergedOcc 0
50 mol 276 unq 1 iso 0 dist 4.92907 5.55879 7.25423 5.49958 7.88706 6.19843 numMergedOcc 0
51 mol 276 unq 1 iso 1 dist 4.92907 5.49958 7.88706 5.55879 7.25423 6.19843 numMergedOcc 0
52 mol 276 unq 2 iso 0 dist 4.92907 5.55879 7.25423 11.4256 7.23916 10.1636 numMergedOcc 0
53 mol 276 unq 2 iso 1 dist 4.92907 11.4256 7.23916 5.55879 7.25423 10.1636 numMergedOcc 0
54 mol 276 unq 2 iso 0 dist 4.92907 5.49958 7.88706 11.4256 7.23916 12.4616 numMergedOcc 0
55 mol 276 unq 2 iso 1 dist 4.92907 11.4256 7.23916 5.49958 7.88706 12.4616 numMergedOcc 0
56 mol 279 unq 0 iso 0 dist 9.56438 10.3409 8.29305 12.3922 6.43341 6.67478 numMergedOcc 0
57 mol 279 unq 0 iso 1 dist 9.56438 12.3922 6.43341 10.3409 8.29305 6.67478 numMergedOcc 0
