0 mol 8 unq 0 iso 0 dist 6.68091 4.04843 8.68949 9.62683 8.89145 13.2274 7.08043 6.92865 8.33226 8.02605 numMergedOcc 0
1 mol 8 unq 0 iso 1 dist 6.68091 4.04843 8.68949 7.08043 6.92865 8.33226 9.62683 8.89145 13.2274 8.02605 numMergedOcc 0
2 mol 67 unq 0 iso 0 dist 8.34804 10.7182 8.27009 16.4344 8.64208 13.0612 11.9474 7.9572 10.6864 7.99329 numMergedOcc 0
3 mol 67 unq 0 iso 1 dist 8.34804 10.7182 8.27009 11.9474 7.9572 10.6864 16.4344 8.64208 13.0612 7.99329 numMergedOcc 0
4 mol 67 unq 1 iso 0 dist 8.34804 5.66613 5.80736 16.4344 8.64208 11.8891 11.9474 7.9572 6.3173 7.99329 numMergedOcc 0
5 mol 67 unq 1 iso 1 dist 8.34804 5.66613 5.80736 11.9474 7.9572 6.3173 16.4344 8.64208 11.8891 7.99329 numMergedOcc 0
6 mol 71 unq 0 iso 0 dist 8.39608 3.91691 8.92529 4.93292 8.21553 6.10737 9.16746 8.22762 6.78097 7.16971 numMergedOcc 0
7 mol 71 unq 0 iso 1 dist 8.39608 3.91691 8.92529 9.16746 8.22762 6.78097 4.93292 8.21553 6.10737 7.16971 numMergedOcc 0
8 mol 71 unq 1 iso 0 dist 7.28815 10.1018 8.92529 6.53623 8.21553 6.10737 5.67157 8.22762 6.78097 7.16971 numMergedOcc 0
9 mol 71 unq 1 iso 1 dist 7.28815 10.1018 8.92529 5.67157 8.22762 6.78097 6.53623 8.21553 6.10737 7.16971 numMergedOcc 0
10 mol 87 unq 0 iso 0 dist 6.97882 6.27329 5.62336 11.2491 9.1329 5.507 5.00184 9.33217 5.76272 10.5639 numMergedOcc 0
11 mol 87 unq 0 iso 1 dist 6.97882 6.27329 5.62336 5.00184 9.33217 5.76272 11.2491 9.1329 5.507 10.5639 numMergedOcc 0
12 mol 87 unq 1 iso 0 dist 6.97882 6.27329 5.62336 11.2491 9.1329 5.507 12.8734 9.03114 7.26523 7.40574 numMergedOcc 0
13 mol 87 unq 1 iso 1 dist 6.97882 6.27329 5.62336 12.8734 9.03114 7.26523 11.2491 9.1329 5.507 7.40574 numMergedOcc 0
14 mol 87 unq 1 iso 0 dist 6.97882 6.27329 5.62336 5.00184 9.33217 5.76272 12.8734 9.03114 7.26523 11.1798 numMergedOcc 0
15 mol 87 unq 1 iso 1 dist 6.97882 6.27329 5.62336 12.8734 9.03114 7.26523 5.00184 9.33217 5.76272 11.1798 numMergedOcc 0
16 mol 87 unq 2 iso 0 dist 9.4868 15.7737 9.90256 11.2491 5.26938 5.30415 12.8734 8.91602 11.2095 7.40574 numMergedOcc 0
17 mol 87 unq 2 iso 1 dist 9.4868 15.7737 9.90256 12.8734 8.91602 11.2095 11.2491 5.26938 5.30415 7.40574 numMergedOcc 0
18 mol 87 unq 3 iso 0 dist 9.4868 6.27329 5.63748 11.2491 5.26938 5.507 12.8734 8.91602 7.26523 7.40574 numMergedOcc 0
19 mol 87 unq 3 iso 1 dist 9.4868 6.27329 5.63748 12.8734 8.91602 7.26523 11.2491 5.26938 5.507 7.40574 numMergedOcc 0
20 mol 87 unq 4 iso 0 dist 7.7858 7.88443 5.62336 11.2195 9.1329 5.507 9.58456 9.33217 5.76272 10.5639 numMergedOcc 0
21 mol 87 unq 4 iso 1 dist 7.7858 7.88443 5.62336 9.58456 9.33217 5.76272 11.2195 9.1329 5.507 10.5639 numMergedOcc 0
22 mol 87 unq 5 iso 0 dist 7.7858 7.88443 5.62336 11.2195 9.1329 5.507 5.66355 9.03114 7.26523 7.40574 numMergedOcc 0
23 mol 87 unq 5 iso 1 dist 7.7858 7.88443 5.62336 5.66355 9.03114 7.26523 11.2195 9.1329 5.507 7.40574 numMergedOcc 0
24 mol 87 unq 5 iso 0 dist 7.7858 7.88443 5.62336 9.58456 9.33217 5.76272 5.66355 9.03114 7.26523 11.1798 numMergedOcc 0
25 mol 87 unq 5 iso 1 dist 7.7858 7.88443 5.62336 5.66355 9.03114 7.26523 9.58456 9.33217 5.76272 11.1798 numMergedOcc 0
26 mol 127 unq 0 iso 0 dist 5.52891 6.87376 5.83719 4.02121 6.65963 4.98711 4.70935 8.62711 11.2447 7.30196 numMergedOcc 0
27 mol 127 unq 0 iso 1 dist 5.52891 6.87376 5.83719 4.70935 8.62711 11.2447 4.02121 6.65963 4.98711 7.30196 numMergedOcc 0
28 mol 132 unq 0 iso 0 dist 7.16287 4.21327 6.94745 4.90475 6.495 5.28089 6.34266 9.43748 4.50065 4.35917 numMergedOcc 0
29 mol 132 unq 0 iso 1 dist 7.16287 4.21327 6.94745 6.34266 9.43748 4.50065 4.90475 6.495 5.28089 4.35917 numMergedOcc 0
30 mol 220 unq 0 iso 0 dist 8.55805 4.74145 6.39087 15.5892 7.30244 12.2765 15.0704 7.29796 13.2427 6.89336 numMergedOcc 0
31 mol 220 unq 0 iso 1 dist 8.55805 4.74145 6.39087 15.0704 7.29796 13.2427 15.5892 7.30244 12.2765 6.89336 numMergedOcc 0
32 mol 236 unq 0 iso 0 dist 8.20542 4.60599 8.63249 11.2013 9.97357 13.6195 4.15973 6.36941 7.45579 7.28249 numMergedOcc 0
33 mol 236 unq 0 iso 1 dist 8.20542 4.60599 8.63249 4.15973 6.36941 7.45579 11.2013 9.97357 13.6195 7.28249 numMergedOcc 0
34 mol 258 unq 0 iso 0 dist 9.17911 15.4705 8.10903 9.07364 9.67877 13.3533 17.1229 8.81059 5.90131 17.2075 numMergedOcc 0
35 mol 258 unq 0 iso 1 dist 9.17911 15.4705 8.10903 17.1229 8.81059 5.90131 9.07364 9.67877 13.3533 17.2075 numMergedOcc 0
36 mol 258 unq 1 iso 0 dist 9.17911 15.4705 8.10903 9.07364 9.67877 13.3533 15.539 9.12006 9.68064 18.4031 numMergedOcc 0
37 mol 258 unq 1 iso 1 dist 9.17911 15.4705 8.10903 15.539 9.12006 9.68064 9.07364 9.67877 13.3533 18.4031 numMergedOcc 0
38 mol 258 unq 1 iso 0 dist 9.17911 15.4705 8.10903 17.1229 8.81059 5.90131 15.539 9.12006 9.68064 5.30627 numMergedOcc 0
39 mol 258 unq 1 iso 1 dist 9.17911 15.4705 8.10903 15.539 9.12006 9.68064 17.1229 8.81059 5.90131 5.30627 numMergedOcc 0
40 mol 258 unq 2 iso 0 dist 9.17911 13.8539 7.25618 9.07364 9.67877 15.0574 17.1229 8.81059 4.51422 17.2075 numMergedOcc 0
41 mol 258 unq 2 iso 1 dist 9.17911 13.8539 7.25618 17.1229 8.81059 4.51422 9.07364 9.67877 15.0574 17.2075 numMergedOcc 0
42 mol 258 unq 3 iso 0 dist 9.17911 13.8539 7.25618 9.07364 9.67877 15.0574 15.539 9.12006 4.99997 18.4031 numMergedOcc 0
43 mol 258 unq 3 iso 1 dist 9.17911 13.8539 7.25618 15.539 9.12006 4.99997 9.07364 9.67877 15.0574 18.4031 numMergedOcc 0
44 mol 258 unq 3 iso 0 dist 9.17911 13.8539 7.25618 17.1229 8.81059 4.51422 15.539 9.12006 4.99997 5.30627 numMergedOcc 0
45 mol 258 unq 3 iso 1 dist 9.17911 13.8539 7.25618 15.539 9.12006 4.99997 17.1229 8.81059 4.51422 5.30627 numMergedOcc 0
46 mol 258 unq 4 iso 0 dist 9.52903 5.66907 8.10903 14.2753 9.67877 13.3533 7.52881 8.81059 5.90131 17.2075 numMergedOcc 0
47 mol 258 unq 4 iso 1 dist 9.52903 5.66907 8.10903 7.52881 8.81059 5.90131 14.2753 9.67877 13.3533 17.2075 numMergedOcc 0
48 mol 258 unq 5 iso 0 dist 9.52903 5.66907 8.10903 14.2753 9.67877 13.3533 12.3042 9.12006 9.68064 18.4031 numMergedOcc 0
49 mol 258 unq 5 iso 1 dist 9.52903 5.66907 8.10903 12.3042 9.12006 9.68064 14.2753 9.67877 13.3533 18.4031 numMergedOcc 0
50 mol 258 unq 5 iso 0 dist 9.52903 5.66907 8.10903 7.52881 8.81059 5.90131 12.3042 9.12006 9.68064 5.30627 numMergedOcc 0
51 mol 258 unq 5 iso 1 dist 9.52903 5.66907 8.10903 12.3042 9.12006 9.68064 7.52881 8.81059 5.90131 5.30627 numMergedOcc 0
52 mol 258 unq 6 iso 0 dist 9.52903 9.6053 7.25618 14.2753 9.67877 15.0574 7.52881 8.81059 4.51422 17.2075 numMergedOcc 0
53 mol 258 unq 6 iso 1 dist 9.52903 9.6053 7.25618 7.52881 8.81059 4.51422 14.2753 9.67877 15.0574 17.2075 numMergedOcc 0
54 mol 258 unq 7 iso 0 dist 9.52903 9.6053 7.25618 14.2753 9.67877 15.0574 12.3042 9.12006 4.99997 18.4031 numMergedOcc 0
55 mol 258 unq 7 iso 1 dist 9.52903 9.6053 7.25618 12.3042 9.12006 4.99997 14.2753 9.67877 15.0574 18.4031 numMergedOcc 0
56 mol 258 unq 7 iso 0 dist 9.52903 9.6053 7.25618 7.52881 8.81059 4.51422 12.3042 9.12006 4.99997 5.30627 numMergedOcc 0
57 mol 258 unq 7 iso 1 dist 9.52903 9.6053 7.25618 12.3042 9.12006 4.99997 7.52881 8.81059 4.51422 5.30627 numMergedOcc 0
58 mol 276 unq 0 iso 0 dist 9.5388 17.4715 9.87655 10.8564 8.95876 11.5806 12.2055 8.259 6.7181 8.61035 numMergedOcc 0
59 mol 276 unq 0 iso 1 dist 9.5388 17.4715 9.87655 12.2055 8.259 6.7181 10.8564 8.95876 11.5806 8.61035 numMergedOcc 0
60 mol 277 unq 0 iso 0 dist 6.70414 12.5633 8.15119 14.2115 9.84188 10.2486 10.8075 8.35794 7.94155 5.59609 numMergedOcc 0
61 mol 277 unq 0 iso 1 dist 6.70414 12.5633 8.15119 10.8075 8.35794 7.94155 14.2115 9.84188 10.2486 5.59609 numMergedOcc 0
62 mol 284 unq 0 iso 0 dist 8.77418 4.17196 7.66585 4.45344 7.35866 7.26724 5.88217 7.32482 5.44847 5.87439 numMergedOcc 0
63 mol 284 unq 0 iso 1 dist 8.77418 4.17196 7.66585 5.88217 7.32482 5.44847 4.45344 7.35866 7.26724 5.87439 numMergedOcc 0
