0 mol 8 unq 0 iso 0 dist 6.68091 9.62683 8.89145 7.08043 6.92865 8.02605 numMergedOcc 0
1 mol 8 unq 0 iso 1 dist 6.68091 7.08043 6.92865 9.62683 8.89145 8.02605 numMergedOcc 0
2 mol 16 unq 0 iso 0 dist 7.979 12.4209 9.04834 4.78943 8.17898 10.2656 numMergedOcc 0
3 mol 16 unq 0 iso 1 dist 7.979 4.78943 8.17898 12.4209 9.04834 10.2656 numMergedOcc 0
4 mol 67 unq 0 iso 0 dist 8.34804 11.9474 7.9572 16.4344 8.64208 7.99329 numMergedOcc 0
5 mol 67 unq 0 iso 1 dist 8.34804 16.4344 8.64208 11.9474 7.9572 7.99329 numMergedOcc 0
6 mol 71 unq 0 iso 0 dist 8.39608 4.93292 8.21553 9.16746 8.22762 7.16971 numMergedOcc 0
7 mol 71 unq 0 iso 1 dist 8.39608 9.16746 8.22762 4.93292 8.21553 7.16971 numMergedOcc 0
8 mol 71 unq 1 iso 0 dist 7.28815 6.53623 8.21553 5.67157 8.22762 7.16971 numMergedOcc 0
9 mol 71 unq 1 iso 1 dist 7.28815 5.67157 8.22762 6.53623 8.21553 7.16971 numMergedOcc 0
10 mol 87 unq 0 iso 0 dist 6.97882 11.2491 9.1329 5.00184 9.33217 10.5639 numMergedOcc 0
11 mol 87 unq 0 iso 1 dist 6.97882 5.00184 9.33217 11.2491 9.1329 10.5639 numMergedOcc 0
12 mol 87 unq 1 iso 0 dist 6.97882 11.2491 9.1329 12.8734 9.03114 7.40574 numMergedOcc 0
13 mol 87 unq 1 iso 1 dist 6.97882 12.8734 9.03114 11.2491 9.1329 7.40574 numMergedOcc 0
14 mol 87 unq 1 iso 0 dist 6.97882 5.00184 9.33217 12.8734 9.03114 11.1798 numMergedOcc 0
15 mol 87 unq 1 iso 1 dist 6.97882 12.8734 9.03114 5.00184 9.33217 11.1798 numMergedOcc 0
16 mol 87 unq 2 iso 0 dist 9.4868 11.2491 5.26938 12.8734 8.91602 7.40574 numMergedOcc 0
17 mol 87 unq 2 iso 1 dist 9.4868 12.8734 8.91602 11.2491 5.26938 7.40574 numMergedOcc 0
18 mol 87 unq 3 iso 0 dist 7.7858 11.2195 9.1329 9.58456 9.33217 10.5639 numMergedOcc 0
19 mol 87 unq 3 iso 1 dist 7.7858 9.58456 9.33217 11.2195 9.1329 10.5639 numMergedOcc 0
20 mol 87 unq 4 iso 0 dist 7.7858 11.2195 9.1329 5.66355 9.03114 7.40574 numMergedOcc 0
21 mol 87 unq 4 iso 1 dist 7.7858 5.66355 9.03114 11.2195 9.1329 7.40574 numMergedOcc 0
22 mol 87 unq 4 iso 0 dist 7.7858 9.58456 9.33217 5.66355 9.03114 11.1798 numMergedOcc 0
23 mol 87 unq 4 iso 1 dist 7.7858 5.66355 9.03114 9.58456 9.33217 11.1798 numMergedOcc 0
24 mol 127 unq 0 iso 0 dist 5.52891 4.02121 6.65963 4.70935 8.62711 7.30196 numMergedOcc 0
25 mol 127 unq 0 iso 1 dist 5.52891 4.70935 8.62711 4.02121 6.65963 7.30196 numMergedOcc 0
26 mol 132 unq 0 iso 0 dist 9.00166 4.90475 6.2403 6.34266 8.34869 4.35917 numMergedOcc 0
27 mol 132 unq 0 iso 1 dist 9.00166 6.34266 8.34869 4.90475 6.2403 4.35917 numMergedOcc 0
28 mol 132 unq 1 iso 0 dist 7.16287 4.90475 6.495 6.34266 9.43748 4.35917 numMergedOcc 0
29 mol 132 unq 1 iso 1 dist 7.16287 6.34266 9.43748 4.90475 6.495 4.35917 numMergedOcc 0
30 mol 175 unq 0 iso 0 dist 7.7013 12.3666 6.73365 12.3067 9.45659 5.35493 numMergedOcc 0
31 mol 175 unq 0 iso 1 dist 7.7013 12.3067 9.45659 12.3666 6.73365 5.35493 numMergedOcc 0
32 mol 175 unq 1 iso 0 dist 7.7013 12.3666 6.73365 7.28603 9.44856 9.63234 numMergedOcc 0
33 mol 175 unq 1 iso 1 dist 7.7013 7.28603 9.44856 12.3666 6.73365 9.63234 numMergedOcc 0
34 mol 175 unq 1 iso 0 dist 7.7013 12.3067 9.45659 7.28603 9.44856 6.80157 numMergedOcc 0
35 mol 175 unq 1 iso 1 dist 7.7013 7.28603 9.44856 12.3067 9.45659 6.80157 numMergedOcc 0
36 mol 185 unq 0 iso 0 dist 7.64068 5.77911 9.03315 10.1438 9.59096 13.2477 numMergedOcc 0
37 mol 185 unq 0 iso 1 dist 7.64068 10.1438 9.59096 5.77911 9.03315 13.2477 numMergedOcc 0
38 mol 185 unq 1 iso 0 dist 9.83898 13.2401 9.03315 4.83776 9.59096 13.2477 numMergedOcc 0
39 mol 185 unq 1 iso 1 dist 9.83898 4.83776 9.59096 13.2401 9.03315 13.2477 numMergedOcc 0
40 mol 204 unq 0 iso 0 dist 4.45738 10.6493 7.7292 4.30341 6.27396 12.5143 numMergedOcc 0
41 mol 204 unq 0 iso 1 dist 4.45738 4.30341 6.27396 10.6493 7.7292 12.5143 numMergedOcc 0
42 mol 219 unq 0 iso 0 dist 7.26376 5.0241 8.09769 4.36122 7.24832 7.02195 numMergedOcc 0
43 mol 219 unq 0 iso 1 dist 7.26376 4.36122 7.24832 5.0241 8.09769 7.02195 numMergedOcc 0
44 mol 220 unq 0 iso 0 dist 8.55805 15.5892 7.30244 15.0704 7.29796 6.89336 numMergedOcc 0
45 mol 220 unq 0 iso 1 dist 8.55805 15.0704 7.29796 15.5892 7.30244 6.89336 numMergedOcc 0
46 mol 236 unq 0 iso 0 dist 8.20542 11.2013 9.97357 4.15973 6.36941 7.28249 numMergedOcc 0
47 mol 236 unq 0 iso 1 dist 8.20542 4.15973 6.36941 11.2013 9.97357 7.28249 numMergedOcc 0
48 mol 258 unq 0 iso 0 dist 9.17911 9.07364 9.67877 17.1229 8.81059 17.2075 numMergedOcc 0
49 mol 258 unq 0 iso 1 dist 9.17911 17.1229 8.81059 9.07364 9.67877 17.2075 numMergedOcc 0
50 mol 258 unq 1 iso 0 dist 9.17911 9.07364 9.67877 15.539 9.12006 18.4031 numMergedOcc 0
51 mol 258 unq 1 iso 1 dist 9.17911 15.539 9.12006 9.07364 9.67877 18.4031 numMergedOcc 0
52 mol 258 unq 1 iso 0 dist 9.17911 17.1229 8.81059 15.539 9.12006 5.30627 numMergedOcc 0
53 mol 258 unq 1 iso 1 dist 9.17911 15.539 9.12006 17.1229 8.81059 5.30627 numMergedOcc 0
54 mol 258 unq 2 iso 0 dist 9.52903 14.2753 9.67877 7.52881 8.81059 17.2075 numMergedOcc 0
55 mol 258 unq 2 iso 1 dist 9.52903 7.52881 8.81059 14.2753 9.67877 17.2075 numMergedOcc 0
56 mol 258 unq 3 iso 0 dist 9.52903 14.2753 9.67877 12.3042 9.12006 18.4031 numMergedOcc 0
57 mol 258 unq 3 iso 1 dist 9.52903 12.3042 9.12006 14.2753 9.67877 18.4031 numMergedOcc 0
58 mol 258 unq 3 iso 0 dist 9.52903 7.52881 8.81059 12.3042 9.12006 5.30627 numMergedOcc 0
59 mol 258 unq 3 iso 1 dist 9.52903 12.3042 9.12006 7.52881 8.81059 5.30627 numMergedOcc 0
60 mol 276 unq 0 iso 0 dist 9.5388 10.8564 8.95876 12.2055 8.259 8.61035 numMergedOcc 0
61 mol 276 unq 0 iso 1 dist 9.5388 12.2055 8.259 10.8564 8.95876 8.61035 numMergedOcc 0
62 mol 277 unq 0 iso 0 dist 6.70414 14.2115 9.84188 10.8075 8.35794 5.59609 numMergedOcc 0
63 mol 277 unq 0 iso 1 dist 6.70414 10.8075 8.35794 14.2115 9.84188 5.59609 numMergedOcc 0
64 mol 284 unq 0 iso 0 dist 8.77418 4.45344 7.35866 5.88217 7.32482 5.87439 numMergedOcc 0
65 mol 284 unq 0 iso 1 dist 8.77418 5.88217 7.32482 4.45344 7.35866 5.87439 numMergedOcc 0
