0 mol 15 unq 0 iso 0 dist 9.97507 6.82505 5.17568 7.12903 5.90976 5.51916 9.03536 8.38064 10.4158 8.21493 5.55659 10.2713 9.78051 8.96967 5.01321 numMergedOcc 0
1 mol 19 unq 0 iso 0 dist 8.4674 4.51865 5.80928 6.20943 5.14627 4.69858 7.67038 4.54938 6.864 7.82528 6.74265 9.58539 8.58657 10.7418 5.5841 numMergedOcc 0
2 mol 19 unq 1 iso 0 dist 8.4674 4.51865 5.80928 6.20943 5.14627 4.69858 10.3915 7.82074 11.0366 10.2708 6.74265 9.58539 8.58657 10.7418 7.42082 numMergedOcc 0
3 mol 19 unq 2 iso 0 dist 4.54938 7.20519 7.34551 8.78293 10.9543 5.31524 7.67038 8.4674 10.4091 13.4721 5.5841 9.58539 9.80108 9.95011 6.74265 numMergedOcc 0
4 mol 19 unq 3 iso 0 dist 4.54938 7.20519 7.34551 8.78293 10.9543 5.31524 5.03957 7.82074 12.1187 12.6444 5.5841 9.58539 9.80108 9.95011 7.42082 numMergedOcc 0
5 mol 19 unq 4 iso 0 dist 4.54938 7.20519 7.34551 8.23643 6.55187 11.0832 7.67038 8.4674 10.4091 14.6255 5.5841 9.58539 9.80108 13.6944 6.74265 numMergedOcc 0
6 mol 19 unq 5 iso 0 dist 4.54938 7.20519 7.34551 8.23643 6.55187 11.0832 5.03957 7.82074 12.1187 8.73972 5.5841 9.58539 9.80108 13.6944 7.42082 numMergedOcc 0
7 mol 19 unq 6 iso 0 dist 4.54938 7.20519 7.34551 7.82528 5.14627 10.4988 7.67038 8.4674 10.4091 6.20943 5.5841 9.58539 9.80108 10.7418 6.74265 numMergedOcc 0
8 mol 19 unq 7 iso 0 dist 4.54938 7.20519 7.34551 7.82528 5.14627 10.4988 5.03957 7.82074 12.1187 10.2708 5.5841 9.58539 9.80108 10.7418 7.42082 numMergedOcc 0
9 mol 19 unq 8 iso 0 dist 4.54938 6.864 5.80928 8.78293 10.9543 11.4401 7.67038 8.4674 4.51865 13.4721 5.5841 9.58539 8.58657 9.95011 6.74265 numMergedOcc 0
10 mol 19 unq 9 iso 0 dist 4.54938 6.864 5.80928 8.78293 10.9543 11.4401 5.03957 7.82074 11.0366 12.6444 5.5841 9.58539 8.58657 9.95011 7.42082 numMergedOcc 0
11 mol 19 unq 10 iso 0 dist 4.54938 6.864 5.80928 8.23643 6.55187 12.3093 7.67038 8.4674 4.51865 14.6255 5.5841 9.58539 8.58657 13.6944 6.74265 numMergedOcc 0
12 mol 19 unq 11 iso 0 dist 4.54938 6.864 5.80928 8.23643 6.55187 12.3093 5.03957 7.82074 11.0366 8.73972 5.5841 9.58539 8.58657 13.6944 7.42082 numMergedOcc 0
13 mol 19 unq 12 iso 0 dist 4.54938 6.864 5.80928 7.82528 5.14627 4.69858 7.67038 8.4674 4.51865 6.20943 5.5841 9.58539 8.58657 10.7418 6.74265 numMergedOcc 0
14 mol 19 unq 13 iso 0 dist 4.54938 6.864 5.80928 7.82528 5.14627 4.69858 5.03957 7.82074 11.0366 10.2708 5.5841 9.58539 8.58657 10.7418 7.42082 numMergedOcc 0
15 mol 19 unq 14 iso 0 dist 4.51865 6.864 7.67038 8.58657 6.74265 5.5841 5.80928 8.4674 4.54938 9.58539 11.4401 13.4721 8.78293 9.95011 10.9543 numMergedOcc 0
16 mol 19 unq 15 iso 0 dist 4.51865 6.864 7.67038 8.58657 6.74265 5.5841 5.80928 8.4674 4.54938 9.58539 12.3093 14.6255 8.23643 13.6944 6.55187 numMergedOcc 0
17 mol 19 unq 16 iso 0 dist 4.51865 6.864 7.67038 8.58657 6.74265 5.5841 5.80928 8.4674 4.54938 9.58539 4.69858 6.20943 7.82528 10.7418 5.14627 numMergedOcc 0
18 mol 19 unq 17 iso 0 dist 6.864 7.20519 7.07775 8.78293 11.4401 5.31524 7.67038 4.51865 10.4091 13.4721 5.5841 8.58657 9.80108 9.95011 6.74265 numMergedOcc 0
19 mol 19 unq 18 iso 0 dist 6.864 7.20519 7.07775 8.23643 12.3093 11.0832 7.67038 4.51865 10.4091 14.6255 5.5841 8.58657 9.80108 13.6944 6.74265 numMergedOcc 0
20 mol 19 unq 19 iso 0 dist 6.864 7.20519 7.07775 7.82528 4.69858 10.4988 7.67038 4.51865 10.4091 6.20943 5.5841 8.58657 9.80108 10.7418 6.74265 numMergedOcc 0
21 mol 19 unq 20 iso 0 dist 6.864 4.51865 7.67038 8.58657 5.5841 6.74265 7.07775 7.20519 10.4091 9.80108 4.69858 7.82528 6.20943 10.7418 10.4988 numMergedOcc 0
22 mol 19 unq 21 iso 0 dist 6.864 4.51865 7.67038 8.58657 5.5841 6.74265 5.80928 4.54938 8.4674 9.58539 4.69858 7.82528 6.20943 10.7418 5.14627 numMergedOcc 0
23 mol 45 unq 0 iso 0 dist 7.2846 7.58835 8.81358 6.34173 4.71384 5.67689 5.24762 6.43774 11.2563 7.06308 6.89191 12.1257 9.20119 8.59109 9.01651 numMergedOcc 0
24 mol 58 unq 0 iso 0 dist 9.4099 9.55426 10.6169 9.73139 5.24906 13.1021 6.47414 6.64012 13.4544 6.46761 10.3782 13.7148 8.26899 12.8396 14.7581 numMergedOcc 0
25 mol 58 unq 1 iso 0 dist 9.4099 9.55426 10.6169 6.31428 5.11205 6.75888 6.47414 6.64012 13.4544 7.58407 10.3782 13.7148 8.26899 8.80108 14.7581 numMergedOcc 0
26 mol 58 unq 2 iso 0 dist 9.55426 7.32874 5.90225 8.26899 10.3782 4.55117 10.6169 9.4099 11.396 13.7148 6.75888 6.31428 6.40841 8.80108 5.11205 numMergedOcc 0
27 mol 72 unq 0 iso 0 dist 9.96708 9.78528 8.24309 7.321 9.0131 6.11922 10.7394 8.8178 9.84449 13.3133 11.6894 12.0903 9.02278 13.4823 5.14048 numMergedOcc 0
28 mol 100 unq 0 iso 0 dist 6.65086 7.47343 8.8807 7.75343 10.9608 15.209 5.88134 9.60661 12.0662 6.58204 10.1589 10.5193 8.72704 16.0363 10.1499 numMergedOcc 0
29 mol 100 unq 1 iso 0 dist 6.56369 7.47343 12.6515 7.75343 5.69137 15.209 5.88134 9.35224 12.0662 6.58204 10.1589 15.8984 8.72704 16.0363 10.1499 numMergedOcc 0
30 mol 115 unq 0 iso 0 dist 9.33865 6.11741 8.02349 9.66954 6.09023 4.61908 7.69052 5.83991 7.88312 8.66155 10.8292 13.9977 6.99777 9.9411 11.7126 numMergedOcc 0
31 mol 115 unq 1 iso 0 dist 9.33865 6.11741 8.02349 9.66954 6.09023 4.61908 7.69052 5.83991 7.88312 8.66155 6.12943 9.65429 9.14376 11.764 4.62962 numMergedOcc 0
32 mol 115 unq 2 iso 0 dist 9.33865 6.11741 8.02349 7.64585 10.2377 10.8939 7.69052 5.83991 7.88312 12.2309 10.8292 13.9977 6.99777 17.3282 11.7126 numMergedOcc 0
33 mol 115 unq 3 iso 0 dist 9.33865 6.11741 8.02349 7.64585 10.2377 10.8939 7.69052 5.83991 7.88312 12.2309 6.12943 9.65429 9.14376 12.1188 4.62962 numMergedOcc 0
34 mol 115 unq 4 iso 0 dist 9.33865 5.83991 7.69052 7.76729 10.7942 10.9739 8.02349 6.11741 7.88312 12.9821 6.09023 9.66954 8.66155 12.4065 4.61908 numMergedOcc 0
35 mol 115 unq 5 iso 0 dist 5.83991 7.88312 8.02349 8.66155 6.09023 4.61908 7.69052 9.33865 6.11741 9.66954 11.7126 13.9977 6.99777 9.9411 10.8292 numMergedOcc 0
36 mol 115 unq 6 iso 0 dist 5.83991 7.88312 8.02349 8.66155 6.09023 4.61908 7.69052 9.33865 6.11741 9.66954 4.62962 9.65429 9.14376 11.764 6.12943 numMergedOcc 0
37 mol 115 unq 7 iso 0 dist 5.83991 9.33865 7.69052 7.76729 10.9739 10.7942 10.8507 7.30858 13.8473 17.6696 6.09023 8.66155 9.66954 12.4065 11.3902 numMergedOcc 0
38 mol 115 unq 8 iso 0 dist 5.83991 9.33865 7.69052 7.76729 10.9739 10.7942 10.8507 7.30858 13.8473 17.6696 10.2377 12.2309 7.64585 6.40036 19.2193 numMergedOcc 0
39 mol 115 unq 9 iso 0 dist 5.83991 9.33865 7.69052 7.76729 10.9739 10.7942 8.02349 7.88312 6.11741 12.9821 6.09023 8.66155 9.66954 12.4065 4.61908 numMergedOcc 0
40 mol 115 unq 10 iso 0 dist 5.83991 9.33865 7.69052 7.76729 10.9739 10.7942 8.02349 7.88312 6.11741 12.9821 10.2377 12.2309 7.64585 6.40036 10.8939 numMergedOcc 0
41 mol 115 unq 11 iso 0 dist 6.11741 9.33865 8.02349 9.66954 4.61908 6.09023 7.69052 7.88312 5.83991 8.66155 10.7942 12.9821 7.76729 12.4065 10.9739 numMergedOcc 0
42 mol 115 unq 12 iso 0 dist 6.11741 9.33865 8.02349 7.64585 10.8939 10.2377 7.69052 7.88312 5.83991 12.2309 10.7942 12.9821 7.76729 6.40036 10.9739 numMergedOcc 0
43 mol 115 unq 13 iso 0 dist 6.11741 7.88312 7.69052 6.99777 10.8292 11.7126 8.02349 9.33865 5.83991 13.9977 4.61908 9.66954 8.66155 9.9411 6.09023 numMergedOcc 0
44 mol 115 unq 14 iso 0 dist 6.11741 7.88312 7.69052 9.14376 6.12943 4.62962 8.02349 9.33865 5.83991 9.65429 4.61908 9.66954 8.66155 11.764 6.09023 numMergedOcc 0
45 mol 115 unq 15 iso 0 dist 7.88312 5.83991 8.02349 8.66155 4.61908 6.09023 7.69052 6.11741 9.33865 9.66954 10.9739 12.9821 7.76729 12.4065 10.7942 numMergedOcc 0
46 mol 115 unq 16 iso 0 dist 7.88312 6.11741 7.69052 6.99777 11.7126 10.8292 11.5723 7.30858 13.8473 11.695 4.61908 8.66155 9.66954 9.9411 11.3902 numMergedOcc 0
47 mol 115 unq 17 iso 0 dist 7.88312 6.11741 7.69052 6.99777 11.7126 10.8292 11.5723 7.30858 13.8473 11.695 10.8939 12.2309 7.64585 17.3282 19.2193 numMergedOcc 0
48 mol 115 unq 18 iso 0 dist 7.88312 6.11741 7.69052 6.99777 11.7126 10.8292 8.02349 5.83991 9.33865 13.9977 4.61908 8.66155 9.66954 9.9411 6.09023 numMergedOcc 0
49 mol 115 unq 19 iso 0 dist 7.88312 6.11741 7.69052 6.99777 11.7126 10.8292 8.02349 5.83991 9.33865 13.9977 10.8939 12.2309 7.64585 17.3282 10.2377 numMergedOcc 0
50 mol 115 unq 20 iso 0 dist 7.88312 6.11741 7.69052 9.14376 4.62962 6.12943 11.5723 7.30858 13.8473 10.0603 4.61908 8.66155 9.66954 11.764 11.3902 numMergedOcc 0
51 mol 115 unq 21 iso 0 dist 7.88312 6.11741 7.69052 9.14376 4.62962 6.12943 11.5723 7.30858 13.8473 10.0603 10.8939 12.2309 7.64585 12.1188 19.2193 numMergedOcc 0
52 mol 115 unq 22 iso 0 dist 7.88312 6.11741 7.69052 9.14376 4.62962 6.12943 8.02349 5.83991 9.33865 9.65429 4.61908 8.66155 9.66954 11.764 6.09023 numMergedOcc 0
53 mol 115 unq 23 iso 0 dist 7.88312 6.11741 7.69052 9.14376 4.62962 6.12943 8.02349 5.83991 9.33865 9.65429 10.8939 12.2309 7.64585 12.1188 10.2377 numMergedOcc 0
54 mol 155 unq 0 iso 0 dist 7.46303 6.23493 5.71071 9.17284 6.3437 4.9093 7.66392 6.43582 10.2463 12.2465 6.3845 9.14392 7.16254 6.51096 12.1814 numMergedOcc 0
55 mol 155 unq 1 iso 0 dist 7.46303 6.23493 5.71071 9.17284 6.3437 4.9093 7.66392 6.43582 10.2463 12.2465 5.86939 7.51198 9.86313 10.3514 6.34186 numMergedOcc 0
56 mol 155 unq 2 iso 0 dist 7.46303 6.43582 7.66392 9.14392 6.3845 12.1814 5.71071 6.23493 10.2463 7.16254 12.8482 15.9495 9.38946 18.2998 18.174 numMergedOcc 0
57 mol 155 unq 3 iso 0 dist 7.46303 6.43582 7.66392 9.14392 6.3845 12.1814 5.71071 6.23493 10.2463 7.16254 8.27726 12.1081 7.36102 13.2154 13.5062 numMergedOcc 0
58 mol 155 unq 4 iso 0 dist 7.46303 6.43582 7.66392 7.51198 5.86939 6.34186 5.71071 6.23493 10.2463 9.86313 12.8482 15.9495 9.38946 11.3251 18.174 numMergedOcc 0
59 mol 155 unq 5 iso 0 dist 7.46303 6.43582 7.66392 7.51198 5.86939 6.34186 5.71071 6.23493 10.2463 9.86313 8.27726 12.1081 7.36102 7.37901 13.5062 numMergedOcc 0
60 mol 156 unq 0 iso 0 dist 8.94056 7.44554 5.56175 6.27641 8.67156 7.29758 10.1658 7.66148 12.0598 10.9818 6.29785 13.1853 9.36805 6.90155 15.7866 numMergedOcc 0
61 mol 156 unq 1 iso 0 dist 8.94056 9.83699 11.2719 6.27641 8.67156 4.53931 10.1658 7.66148 15.1382 10.9818 6.29785 13.1853 7.55203 6.90155 15.7866 numMergedOcc 0
62 mol 175 unq 0 iso 0 dist 9.0018 5.6234 6.2715 9.8589 8.22779 10.5631 7.42466 7.652 9.92231 7.24908 5.28109 10.689 9.0664 12.8738 7.14477 numMergedOcc 0
63 mol 175 unq 1 iso 0 dist 9.0018 7.652 7.42466 9.31887 11.0415 5.0384 6.2715 5.6234 9.92231 12.816 8.22779 9.8589 7.24908 4.79852 10.5631 numMergedOcc 0
64 mol 175 unq 2 iso 0 dist 9.0018 7.652 7.42466 9.31887 11.0415 5.0384 8.16421 6.57069 10.2623 11.3137 8.22779 9.8589 7.24908 4.79852 7.5414 numMergedOcc 0
65 mol 175 unq 3 iso 0 dist 7.652 9.92231 6.2715 7.24908 8.22779 10.5631 7.42466 9.0018 5.6234 9.8589 7.14477 10.689 9.0664 12.8738 5.28109 numMergedOcc 0
66 mol 175 unq 4 iso 0 dist 7.652 9.0018 7.42466 9.31887 5.0384 11.0415 6.2715 9.92231 5.6234 12.816 8.22779 7.24908 9.8589 4.79852 10.5631 numMergedOcc 0
67 mol 175 unq 5 iso 0 dist 5.6234 9.0018 6.2715 9.8589 10.5631 8.22779 7.42466 9.92231 7.652 7.24908 11.0415 12.816 9.31887 4.79852 5.0384 numMergedOcc 0
68 mol 175 unq 6 iso 0 dist 5.6234 9.92231 7.42466 9.0664 5.28109 7.14477 6.2715 9.0018 7.652 10.689 10.5631 9.8589 7.24908 12.8738 8.22779 numMergedOcc 0
69 mol 175 unq 7 iso 0 dist 5.6234 9.92231 7.42466 9.0664 5.28109 7.14477 5.35493 6.57069 10.2623 11.5506 10.5631 9.8589 7.24908 12.8738 7.5414 numMergedOcc 0
70 mol 175 unq 8 iso 0 dist 9.92231 7.652 6.2715 7.24908 10.5631 8.22779 7.42466 5.6234 9.0018 9.8589 5.0384 12.816 9.31887 4.79852 11.0415 numMergedOcc 0
71 mol 175 unq 9 iso 0 dist 9.92231 5.6234 7.42466 9.0664 7.14477 5.28109 6.2715 7.652 9.0018 10.689 10.5631 7.24908 9.8589 12.8738 8.22779 numMergedOcc 0
72 mol 181 unq 0 iso 0 dist 9.1374 5.98885 8.88798 6.94688 6.25083 5.86342 13.2049 8.03334 10.7062 12.1309 5.4601 10.2276 7.20046 10.5561 10.7112 numMergedOcc 0
73 mol 181 unq 1 iso 0 dist 9.1374 5.98885 8.88798 6.94688 6.25083 5.86342 13.2049 8.03334 10.7062 12.1309 10.0524 10.7636 7.13543 11.7007 7.07409 numMergedOcc 0
74 mol 181 unq 2 iso 0 dist 9.1374 5.98885 8.88798 6.71012 4.77278 9.14057 13.2049 8.03334 10.7062 12.2058 5.4601 10.2276 7.20046 9.94131 10.7112 numMergedOcc 0
75 mol 181 unq 3 iso 0 dist 9.1374 5.98885 8.88798 6.71012 4.77278 9.14057 13.2049 8.03334 10.7062 12.2058 10.0524 10.7636 7.13543 12.8673 7.07409 numMergedOcc 0
76 mol 181 unq 4 iso 0 dist 9.1374 9.15386 12.1628 6.94688 6.25083 6.80228 13.2049 8.03334 14.9794 12.1309 8.25067 13.2702 9.6668 8.20656 19.5806 numMergedOcc 0
77 mol 181 unq 5 iso 0 dist 9.1374 9.15386 12.1628 6.71012 4.77278 11.6919 13.2049 8.03334 14.9794 12.2058 8.25067 13.2702 9.6668 9.40622 19.5806 numMergedOcc 0
78 mol 181 unq 6 iso 0 dist 5.98885 9.15386 5.16002 6.94688 5.86342 6.80228 10.1912 9.09537 12.9862 14.4632 8.25067 10.8351 9.6668 8.20656 17.441 numMergedOcc 0
79 mol 181 unq 7 iso 0 dist 5.98885 9.15386 5.16002 6.71012 9.14057 11.6919 10.1912 9.09537 12.9862 15.4777 8.25067 10.8351 9.6668 9.40622 17.441 numMergedOcc 0
80 mol 224 unq 0 iso 0 dist 6.57273 8.95269 4.70378 6.87664 7.12232 7.98696 5.0744 6.60589 9.99123 10.8259 9.36098 10.0414 7.06793 8.89778 12.5195 numMergedOcc 0
81 mol 224 unq 1 iso 0 dist 6.57273 8.95269 4.70378 6.87664 7.12232 7.98696 5.0744 6.60589 9.99123 10.8259 5.29877 6.65984 6.67585 9.47554 6.12232 numMergedOcc 0
82 mol 224 unq 2 iso 0 dist 6.60589 6.57273 5.0744 6.65984 6.12232 5.29877 6.77699 6.65832 10.103 11.0097 7.12232 10.8259 6.87664 9.47554 12.6949 numMergedOcc 0
83 mol 224 unq 3 iso 0 dist 6.60589 6.57273 5.0744 6.65984 6.12232 5.29877 8.49799 9.16166 5.78342 10.667 7.12232 10.8259 6.87664 9.47554 5.3621 numMergedOcc 0
84 mol 224 unq 4 iso 0 dist 5.78342 8.95269 11.5372 6.87664 5.3621 7.98696 5.0744 9.16166 9.99123 10.8259 9.36098 12.7072 7.06793 8.89778 12.5195 numMergedOcc 0
85 mol 224 unq 5 iso 0 dist 5.78342 8.95269 11.5372 6.87664 5.3621 7.98696 5.0744 9.16166 9.99123 10.8259 5.29877 10.667 6.67585 9.47554 6.12232 numMergedOcc 0
86 mol 224 unq 6 iso 0 dist 5.78342 8.95269 11.5372 6.87664 5.3621 7.98696 5.60236 5.81334 14.0676 10.2775 9.36098 12.7072 7.06793 8.89778 14.7761 numMergedOcc 0
87 mol 224 unq 7 iso 0 dist 5.78342 8.95269 11.5372 6.87664 5.3621 7.98696 5.60236 5.81334 14.0676 10.2775 5.29877 10.667 6.67585 9.47554 10.449 numMergedOcc 0
88 mol 224 unq 8 iso 0 dist 5.78342 6.57273 8.49799 6.87664 5.3621 7.12232 5.0744 9.16166 6.60589 10.8259 5.29877 10.667 6.65984 9.47554 6.12232 numMergedOcc 0
89 mol 224 unq 9 iso 0 dist 5.78342 6.57273 8.49799 6.87664 5.3621 7.12232 5.60236 5.81334 10.5128 10.2775 5.29877 10.667 6.65984 9.47554 10.449 numMergedOcc 0
