0 mol 9 unq 0 iso 0 dist 8.57077 6.85412 8.27962 6.33889 11.4878 5.80437 5.60154 8.47421 9.29529 7.2199 numMergedOcc 0
1 mol 9 unq 0 iso 1 dist 8.57077 6.33889 11.4878 6.85412 8.27962 5.80437 5.60154 8.47421 7.2199 9.29529 numMergedOcc 0
2 mol 19 unq 0 iso 0 dist 7.20519 8.78293 5.31524 8.23643 11.0832 12.7954 5.5841 9.80108 9.95011 13.6944 numMergedOcc 0
3 mol 19 unq 0 iso 1 dist 7.20519 8.23643 11.0832 8.78293 5.31524 12.7954 5.5841 9.80108 13.6944 9.95011 numMergedOcc 0
4 mol 19 unq 1 iso 0 dist 7.20519 8.78293 5.31524 7.82528 10.4988 14.7664 5.5841 9.80108 9.95011 10.7418 numMergedOcc 0
5 mol 19 unq 1 iso 1 dist 7.20519 7.82528 10.4988 8.78293 5.31524 14.7664 5.5841 9.80108 10.7418 9.95011 numMergedOcc 0
6 mol 19 unq 1 iso 0 dist 7.20519 8.23643 11.0832 7.82528 10.4988 11.0033 5.5841 9.80108 13.6944 10.7418 numMergedOcc 0
7 mol 19 unq 1 iso 1 dist 7.20519 7.82528 10.4988 8.23643 11.0832 11.0033 5.5841 9.80108 10.7418 13.6944 numMergedOcc 0
8 mol 19 unq 2 iso 0 dist 6.864 8.78293 11.4401 8.23643 12.3093 12.7954 5.5841 8.58657 9.95011 13.6944 numMergedOcc 0
9 mol 19 unq 2 iso 1 dist 6.864 8.23643 12.3093 8.78293 11.4401 12.7954 5.5841 8.58657 13.6944 9.95011 numMergedOcc 0
10 mol 19 unq 3 iso 0 dist 6.864 8.78293 11.4401 7.82528 4.69858 14.7664 5.5841 8.58657 9.95011 10.7418 numMergedOcc 0
11 mol 19 unq 3 iso 1 dist 6.864 7.82528 4.69858 8.78293 11.4401 14.7664 5.5841 8.58657 10.7418 9.95011 numMergedOcc 0
12 mol 19 unq 3 iso 0 dist 6.864 8.23643 12.3093 7.82528 4.69858 11.0033 5.5841 8.58657 13.6944 10.7418 numMergedOcc 0
13 mol 19 unq 3 iso 1 dist 6.864 7.82528 4.69858 8.23643 12.3093 11.0033 5.5841 8.58657 10.7418 13.6944 numMergedOcc 0
14 mol 58 unq 0 iso 0 dist 9.55426 9.73139 13.1021 6.31428 6.75888 6.44201 10.3782 8.26899 12.8396 8.80108 numMergedOcc 0
15 mol 58 unq 0 iso 1 dist 9.55426 6.31428 6.75888 9.73139 13.1021 6.44201 10.3782 8.26899 8.80108 12.8396 numMergedOcc 0
16 mol 88 unq 0 iso 0 dist 9.36773 8.66514 8.4283 9.25235 5.37521 4.61166 6.95868 9.2603 13.649 12.48 numMergedOcc 0
17 mol 88 unq 0 iso 1 dist 9.36773 9.25235 5.37521 8.66514 8.4283 4.61166 6.95868 9.2603 12.48 13.649 numMergedOcc 0
18 mol 115 unq 0 iso 0 dist 9.33865 9.66954 6.09023 7.64585 10.2377 12.0796 10.7942 7.76729 12.4065 6.40036 numMergedOcc 0
19 mol 115 unq 0 iso 1 dist 9.33865 7.64585 10.2377 9.66954 6.09023 12.0796 10.7942 7.76729 6.40036 12.4065 numMergedOcc 0
20 mol 115 unq 1 iso 0 dist 6.11741 9.66954 4.61908 7.64585 10.8939 12.0796 10.8292 6.99777 9.9411 17.3282 numMergedOcc 0
21 mol 115 unq 1 iso 1 dist 6.11741 7.64585 10.8939 9.66954 4.61908 12.0796 10.8292 6.99777 17.3282 9.9411 numMergedOcc 0
22 mol 115 unq 2 iso 0 dist 6.11741 9.66954 4.61908 7.64585 10.8939 12.0796 6.12943 9.14376 11.764 12.1188 numMergedOcc 0
23 mol 115 unq 2 iso 1 dist 6.11741 7.64585 10.8939 9.66954 4.61908 12.0796 6.12943 9.14376 12.1188 11.764 numMergedOcc 0
24 mol 115 unq 3 iso 0 dist 6.11741 6.99777 10.8292 9.14376 6.12943 11.889 4.61908 9.66954 9.9411 11.764 numMergedOcc 0
25 mol 115 unq 3 iso 1 dist 6.11741 9.14376 6.12943 6.99777 10.8292 11.889 4.61908 9.66954 11.764 9.9411 numMergedOcc 0
26 mol 115 unq 4 iso 0 dist 6.11741 6.99777 10.8292 9.14376 6.12943 11.889 10.8939 7.64585 17.3282 12.1188 numMergedOcc 0
27 mol 115 unq 4 iso 1 dist 6.11741 9.14376 6.12943 6.99777 10.8292 11.889 10.8939 7.64585 12.1188 17.3282 numMergedOcc 0
28 mol 115 unq 5 iso 0 dist 7.88312 6.99777 11.7126 9.14376 4.62962 11.889 4.61908 8.66155 9.9411 11.764 numMergedOcc 0
29 mol 115 unq 5 iso 1 dist 7.88312 9.14376 4.62962 6.99777 11.7126 11.889 4.61908 8.66155 11.764 9.9411 numMergedOcc 0
30 mol 127 unq 0 iso 0 dist 9.30299 8.59981 14.085 7.34519 13.1312 12.7129 4.77464 9.81878 6.3244 11.7518 numMergedOcc 0
31 mol 127 unq 0 iso 1 dist 9.30299 7.34519 13.1312 8.59981 14.085 12.7129 4.77464 9.81878 11.7518 6.3244 numMergedOcc 0
32 mol 155 unq 0 iso 0 dist 6.23493 7.16254 6.3845 9.86313 5.86939 7.63368 4.9093 9.17284 6.51096 10.3514 numMergedOcc 0
33 mol 155 unq 0 iso 1 dist 6.23493 9.86313 5.86939 7.16254 6.3845 7.63368 4.9093 9.17284 10.3514 6.51096 numMergedOcc 0
34 mol 155 unq 1 iso 0 dist 7.46303 9.14392 6.3845 7.51198 5.86939 7.63368 6.3437 9.17284 6.51096 10.3514 numMergedOcc 0
35 mol 155 unq 1 iso 1 dist 7.46303 7.51198 5.86939 9.14392 6.3845 7.63368 6.3437 9.17284 10.3514 6.51096 numMergedOcc 0
36 mol 155 unq 2 iso 0 dist 6.43582 9.38946 12.8482 7.36102 8.27726 5.68272 12.1814 9.14392 18.2998 13.2154 numMergedOcc 0
37 mol 155 unq 2 iso 1 dist 6.43582 7.36102 8.27726 9.38946 12.8482 5.68272 12.1814 9.14392 13.2154 18.2998 numMergedOcc 0
38 mol 155 unq 3 iso 0 dist 6.43582 9.38946 12.8482 7.36102 8.27726 5.68272 6.34186 7.51198 11.3251 7.37901 numMergedOcc 0
39 mol 155 unq 3 iso 1 dist 6.43582 7.36102 8.27726 9.38946 12.8482 5.68272 6.34186 7.51198 7.37901 11.3251 numMergedOcc 0
40 mol 155 unq 4 iso 0 dist 6.43582 9.14392 12.1814 7.51198 6.34186 7.63368 12.8482 9.38946 18.2998 11.3251 numMergedOcc 0
41 mol 155 unq 4 iso 1 dist 6.43582 7.51198 6.34186 9.14392 12.1814 7.63368 12.8482 9.38946 11.3251 18.2998 numMergedOcc 0
42 mol 155 unq 5 iso 0 dist 6.43582 9.14392 12.1814 7.51198 6.34186 7.63368 8.27726 7.36102 13.2154 7.37901 numMergedOcc 0
43 mol 155 unq 5 iso 1 dist 6.43582 7.51198 6.34186 9.14392 12.1814 7.63368 8.27726 7.36102 7.37901 13.2154 numMergedOcc 0
44 mol 181 unq 0 iso 0 dist 5.98885 6.94688 5.86342 6.71012 9.14057 5.3528 5.4601 7.20046 10.5561 9.94131 numMergedOcc 0
45 mol 181 unq 0 iso 1 dist 5.98885 6.71012 9.14057 6.94688 5.86342 5.3528 5.4601 7.20046 9.94131 10.5561 numMergedOcc 0
46 mol 181 unq 1 iso 0 dist 5.98885 6.94688 5.86342 6.71012 9.14057 5.3528 10.0524 7.13543 11.7007 12.8673 numMergedOcc 0
47 mol 181 unq 1 iso 1 dist 5.98885 6.71012 9.14057 6.94688 5.86342 5.3528 10.0524 7.13543 12.8673 11.7007 numMergedOcc 0
48 mol 181 unq 2 iso 0 dist 5.98885 7.20046 5.4601 7.13543 10.0524 6.33699 5.86342 6.94688 10.5561 11.7007 numMergedOcc 0
49 mol 181 unq 2 iso 1 dist 5.98885 7.13543 10.0524 7.20046 5.4601 6.33699 5.86342 6.94688 11.7007 10.5561 numMergedOcc 0
50 mol 181 unq 3 iso 0 dist 5.98885 7.20046 5.4601 7.13543 10.0524 6.33699 9.14057 6.71012 9.94131 12.8673 numMergedOcc 0
51 mol 181 unq 3 iso 1 dist 5.98885 7.13543 10.0524 7.20046 5.4601 6.33699 9.14057 6.71012 12.8673 9.94131 numMergedOcc 0
52 mol 181 unq 4 iso 0 dist 9.15386 6.94688 6.80228 6.71012 11.6919 5.3528 8.25067 9.6668 8.20656 9.40622 numMergedOcc 0
53 mol 181 unq 4 iso 1 dist 9.15386 6.71012 11.6919 6.94688 6.80228 5.3528 8.25067 9.6668 9.40622 8.20656 numMergedOcc 0
54 mol 181 unq 5 iso 0 dist 7.81386 7.98142 9.53462 7.37327 11.1462 6.46849 6.7991 4.93785 12.2455 11.691 numMergedOcc 0
55 mol 181 unq 5 iso 1 dist 7.81386 7.37327 11.1462 7.98142 9.53462 6.46849 6.7991 4.93785 11.691 12.2455 numMergedOcc 0
56 mol 181 unq 6 iso 0 dist 7.63312 7.98142 9.60512 7.37327 13.3389 6.46849 4.80231 6.93764 10.7841 11.1129 numMergedOcc 0
57 mol 181 unq 6 iso 1 dist 7.63312 7.37327 13.3389 7.98142 9.60512 6.46849 4.80231 6.93764 11.1129 10.7841 numMergedOcc 0
58 mol 214 unq 0 iso 0 dist 8.85478 6.97182 8.47007 6.1175 12.8334 5.93129 6.67959 7.46831 11.7443 12.7646 numMergedOcc 0
59 mol 214 unq 0 iso 1 dist 8.85478 6.1175 12.8334 6.97182 8.47007 5.93129 6.67959 7.46831 12.7646 11.7443 numMergedOcc 0
60 mol 224 unq 0 iso 0 dist 8.95269 7.06793 9.36098 6.67585 5.29877 6.88258 7.98696 6.87664 8.89778 9.47554 numMergedOcc 0
61 mol 224 unq 0 iso 1 dist 8.95269 6.67585 5.29877 7.06793 9.36098 6.88258 7.98696 6.87664 9.47554 8.89778 numMergedOcc 0
62 mol 239 unq 0 iso 0 dist 7.00034 7.39747 6.26168 8.1777 5.39146 4.89061 7.04058 7.20082 6.34801 9.95595 numMergedOcc 0
63 mol 239 unq 0 iso 1 dist 7.00034 8.1777 5.39146 7.39747 6.26168 4.89061 7.04058 7.20082 9.95595 6.34801 numMergedOcc 0
64 mol 259 unq 0 iso 0 dist 5.30224 6.77938 4.99891 7.76676 5.32839 6.1415 5.31048 8.37865 11.4462 9.64797 numMergedOcc 0
65 mol 259 unq 0 iso 1 dist 5.30224 7.76676 5.32839 6.77938 4.99891 6.1415 5.31048 8.37865 9.64797 11.4462 numMergedOcc 0
