0 mol 58 unq 0 iso 0 dist 7.32874 9.55426 5.90225 6.75888 6.40841 6.31428 13.1021 10.9482 9.73139 6.44201 8.26899 4.55117 10.3782 8.80108 12.8396 numMergedOcc 0
1 mol 58 unq 1 iso 0 dist 7.32874 9.55426 5.90225 6.75888 6.40841 6.31428 13.1021 10.9482 9.73139 6.44201 11.3177 5.64209 7.02095 6.50297 6.96494 numMergedOcc 0
2 mol 58 unq 2 iso 0 dist 6.86465 6.62496 5.30792 6.47744 8.63333 11.5023 4.67832 11.4118 9.64665 9.45755 12.4575 10.6476 15.4158 6.96494 16.2246 numMergedOcc 0
3 mol 58 unq 3 iso 0 dist 6.86465 6.62496 5.30792 6.47744 8.63333 11.5023 4.67832 11.4118 9.64665 9.45755 9.58673 5.92889 10.2241 7.01363 13.848 numMergedOcc 0
4 mol 58 unq 4 iso 0 dist 6.35756 6.62496 4.81926 6.47744 8.89374 11.5023 4.67832 9.66798 9.64665 9.45755 12.4575 12.7331 15.4158 6.96494 16.2246 numMergedOcc 0
5 mol 58 unq 5 iso 0 dist 6.35756 6.62496 4.81926 6.47744 8.89374 11.5023 4.67832 9.66798 9.64665 9.45755 9.58673 7.05413 10.2241 7.01363 13.848 numMergedOcc 0
6 mol 58 unq 6 iso 0 dist 6.64012 9.4099 6.47414 5.24906 6.46761 9.73139 5.11205 7.58407 6.31428 6.44201 9.89984 8.74789 7.02095 6.96494 6.50297 numMergedOcc 0
7 mol 58 unq 7 iso 0 dist 6.64012 9.4099 6.47414 5.24906 6.46761 9.73139 5.11205 7.58407 6.31428 6.44201 10.9283 6.61756 8.94672 7.01363 10.2688 numMergedOcc 0
8 mol 58 unq 8 iso 0 dist 6.64012 9.4099 6.47414 5.11205 7.58407 6.31428 5.24906 6.46761 9.73139 6.44201 13.7148 14.7581 10.3782 8.80108 12.8396 numMergedOcc 0
9 mol 58 unq 9 iso 0 dist 6.64012 9.4099 6.47414 5.11205 7.58407 6.31428 5.24906 6.46761 9.73139 6.44201 9.89984 8.74789 7.02095 6.50297 6.96494 numMergedOcc 0
10 mol 58 unq 10 iso 0 dist 9.4099 6.64012 6.47414 5.24906 9.73139 6.46761 5.11205 6.31428 7.58407 6.44201 9.89984 7.02095 8.74789 6.96494 6.50297 numMergedOcc 0
11 mol 58 unq 11 iso 0 dist 9.4099 6.64012 6.47414 5.24906 9.73139 6.46761 5.11205 6.31428 7.58407 6.44201 10.9283 8.94672 6.61756 7.01363 10.2688 numMergedOcc 0
12 mol 58 unq 12 iso 0 dist 9.4099 6.64012 6.47414 5.11205 6.31428 7.58407 5.24906 9.73139 6.46761 6.44201 13.7148 10.3782 14.7581 8.80108 12.8396 numMergedOcc 0
13 mol 58 unq 13 iso 0 dist 9.4099 6.64012 6.47414 5.11205 6.31428 7.58407 5.24906 9.73139 6.46761 6.44201 9.89984 7.02095 8.74789 6.50297 6.96494 numMergedOcc 0
14 mol 58 unq 14 iso 0 dist 9.55426 7.32874 5.90225 13.1021 9.73139 10.9482 6.75888 6.31428 6.40841 6.44201 11.3177 7.02095 5.64209 6.96494 6.50297 numMergedOcc 0
15 mol 58 unq 15 iso 0 dist 9.55426 7.32874 5.90225 13.1021 9.73139 10.9482 6.75888 6.31428 6.40841 6.44201 16.3779 8.94672 11.2323 7.01363 10.2688 numMergedOcc 0
16 mol 72 unq 0 iso 0 dist 9.96708 9.78528 8.24309 7.11552 6.77912 11.9814 11.6894 12.0903 9.02278 15.2764 7.321 9.0131 6.11922 9.19459 13.4823 numMergedOcc 0
17 mol 115 unq 0 iso 0 dist 9.33865 6.11741 8.02349 10.7942 7.76729 12.9821 10.8292 13.9977 6.99777 19.687 12.0409 6.34759 10.1863 7.99631 16.8388 numMergedOcc 0
18 mol 115 unq 1 iso 0 dist 9.33865 6.11741 8.02349 10.7942 7.76729 12.9821 10.8292 13.9977 6.99777 19.687 7.64585 10.2377 10.8939 6.40036 17.3282 numMergedOcc 0
19 mol 115 unq 2 iso 0 dist 9.33865 6.11741 8.02349 10.7942 7.76729 12.9821 6.12943 9.65429 9.14376 12.4207 12.0409 6.34759 10.1863 7.99631 14.8704 numMergedOcc 0
20 mol 115 unq 3 iso 0 dist 9.33865 6.11741 8.02349 10.7942 7.76729 12.9821 6.12943 9.65429 9.14376 12.4207 7.64585 10.2377 10.8939 6.40036 12.1188 numMergedOcc 0
21 mol 115 unq 4 iso 0 dist 9.33865 5.83991 7.69052 10.2377 7.64585 12.2309 6.09023 9.66954 8.66155 12.0796 7.76729 10.7942 10.9739 6.40036 12.4065 numMergedOcc 0
22 mol 115 unq 5 iso 0 dist 5.83991 7.88312 8.02349 10.9739 7.76729 12.9821 11.7126 13.9977 6.99777 19.687 11.8557 6.34759 10.1863 7.99631 16.8388 numMergedOcc 0
23 mol 115 unq 6 iso 0 dist 5.83991 7.88312 8.02349 10.9739 7.76729 12.9821 11.7126 13.9977 6.99777 19.687 12.2309 10.2377 10.8939 6.40036 17.3282 numMergedOcc 0
24 mol 115 unq 7 iso 0 dist 5.83991 7.88312 8.02349 10.9739 7.76729 12.9821 4.62962 9.65429 9.14376 12.4207 11.8557 6.34759 10.1863 7.99631 14.8704 numMergedOcc 0
25 mol 115 unq 8 iso 0 dist 5.83991 7.88312 8.02349 10.9739 7.76729 12.9821 4.62962 9.65429 9.14376 12.4207 12.2309 10.2377 10.8939 6.40036 12.1188 numMergedOcc 0
26 mol 115 unq 9 iso 0 dist 6.11741 7.88312 7.69052 10.8939 7.64585 12.2309 4.61908 9.66954 8.66155 12.0796 12.9821 10.7942 10.9739 6.40036 12.4065 numMergedOcc 0
27 mol 155 unq 0 iso 0 dist 6.23493 7.46303 5.71071 6.3845 7.16254 9.14392 5.86939 9.86313 7.51198 7.63368 9.17284 4.9093 6.3437 6.51096 10.3514 numMergedOcc 0
28 mol 155 unq 1 iso 0 dist 6.23493 7.46303 5.71071 6.3845 7.16254 9.14392 5.86939 9.86313 7.51198 7.63368 13.2459 10.7896 9.99927 8.73171 11.8293 numMergedOcc 0
29 mol 155 unq 2 iso 0 dist 6.23493 7.46303 5.71071 5.86939 9.86313 7.51198 6.3845 7.16254 9.14392 7.63368 12.1081 13.5062 8.27726 7.37901 13.2154 numMergedOcc 0
30 mol 155 unq 3 iso 0 dist 7.46303 6.23493 5.71071 6.3845 9.14392 7.16254 5.86939 7.51198 9.86313 7.63368 9.17284 6.3437 4.9093 6.51096 10.3514 numMergedOcc 0
31 mol 155 unq 4 iso 0 dist 7.46303 6.23493 5.71071 6.3845 9.14392 7.16254 5.86939 7.51198 9.86313 7.63368 13.2459 9.99927 10.7896 8.73171 11.8293 numMergedOcc 0
32 mol 155 unq 5 iso 0 dist 7.46303 6.23493 5.71071 5.86939 7.51198 9.86313 6.3845 9.14392 7.16254 7.63368 12.1081 8.27726 13.5062 7.37901 13.2154 numMergedOcc 0
33 mol 155 unq 6 iso 0 dist 7.46303 6.43582 7.66392 6.3437 9.17284 12.2465 12.8482 15.9495 9.38946 18.0659 9.14392 6.3845 12.1814 6.51096 18.2998 numMergedOcc 0
34 mol 155 unq 7 iso 0 dist 7.46303 6.43582 7.66392 6.3437 9.17284 12.2465 8.27726 12.1081 7.36102 12.644 9.14392 6.3845 12.1814 6.51096 13.2154 numMergedOcc 0
35 mol 155 unq 8 iso 0 dist 6.43582 7.46303 7.66392 8.27726 7.36102 12.1081 6.3437 12.2465 9.17284 12.644 7.51198 6.34186 5.86939 7.37901 10.3514 numMergedOcc 0
36 mol 175 unq 0 iso 0 dist 9.0018 5.6234 6.2715 11.0415 9.31887 12.816 5.28109 10.689 9.0664 12.0428 9.8589 8.22779 10.5631 4.79852 12.8738 numMergedOcc 0
37 mol 175 unq 1 iso 0 dist 7.652 9.92231 6.2715 5.0384 9.31887 12.816 7.14477 10.689 9.0664 12.0428 7.24908 8.22779 10.5631 4.79852 12.8738 numMergedOcc 0
38 mol 181 unq 0 iso 0 dist 9.15386 5.98885 5.16002 8.25067 9.6668 10.8351 5.4601 11.968 7.20046 13.6811 6.94688 6.80228 5.86342 8.20656 10.5561 numMergedOcc 0
39 mol 181 unq 1 iso 0 dist 9.15386 5.98885 5.16002 8.25067 9.6668 10.8351 5.4601 11.968 7.20046 13.6811 6.71012 11.6919 9.14057 9.40622 9.94131 numMergedOcc 0
40 mol 181 unq 2 iso 0 dist 9.15386 5.98885 5.16002 8.25067 9.6668 10.8351 10.0524 11.8099 7.13543 17.3245 6.94688 6.80228 5.86342 8.20656 11.7007 numMergedOcc 0
41 mol 181 unq 3 iso 0 dist 9.15386 5.98885 5.16002 8.25067 9.6668 10.8351 10.0524 11.8099 7.13543 17.3245 6.71012 11.6919 9.14057 9.40622 12.8673 numMergedOcc 0
42 mol 224 unq 0 iso 0 dist 8.95269 6.57273 4.70378 9.36098 7.06793 10.0414 5.29877 6.67585 6.65984 6.88258 6.87664 7.98696 7.12232 8.89778 9.47554 numMergedOcc 0
43 mol 224 unq 1 iso 0 dist 6.57273 8.95269 4.70378 5.29877 6.65984 6.67585 9.36098 10.0414 7.06793 6.88258 6.87664 7.12232 7.98696 9.47554 8.89778 numMergedOcc 0
44 mol 227 unq 0 iso 0 dist 7.22101 8.65997 5.22356 6.43754 8.17891 6.95902 14.6185 13.4493 9.62609 8.55671 12.3856 13.3557 8.8709 7.95168 6.152 numMergedOcc 0
45 mol 227 unq 1 iso 0 dist 7.22101 7.55216 12.4689 6.43754 8.17891 12.8864 11.662 15.9414 8.83563 18.0561 12.3856 13.3557 15.5877 7.95168 23.174 numMergedOcc 0
46 mol 227 unq 2 iso 0 dist 8.65997 7.22101 5.22356 14.6185 9.62609 13.4493 6.43754 6.95902 8.17891 8.55671 12.3856 8.8709 13.3557 6.152 7.95168 numMergedOcc 0
47 mol 227 unq 3 iso 0 dist 8.65997 7.55216 12.9332 14.6185 9.62609 19.8174 11.662 18.8667 8.83563 26.2227 12.3856 8.8709 15.5877 6.152 23.174 numMergedOcc 0
48 mol 227 unq 4 iso 0 dist 8.65997 7.55216 12.9332 6.43754 6.95902 12.8864 11.662 18.8667 8.83563 18.0561 12.3856 8.8709 15.5877 7.95168 23.174 numMergedOcc 0
49 mol 234 unq 0 iso 0 dist 9.45496 6.56247 5.88703 15.9563 9.5707 10.3388 11.216 7.85175 6.25105 5.32617 15.004 5.56749 10.6156 8.49841 10.0446 numMergedOcc 0
50 mol 234 unq 1 iso 0 dist 9.45496 6.56247 5.88703 15.9563 9.5707 10.3388 11.216 7.85175 6.25105 5.32617 17.6567 12.1076 15.0456 9.6101 10.7048 numMergedOcc 0
51 mol 234 unq 2 iso 0 dist 6.7625 9.36357 5.88703 14.4106 9.5707 10.3388 11.4315 7.85175 6.25105 5.32617 10.8628 5.56749 10.6156 8.49841 10.0446 numMergedOcc 0
52 mol 234 unq 3 iso 0 dist 6.7625 9.36357 5.88703 14.4106 9.5707 10.3388 11.4315 7.85175 6.25105 5.32617 12.6312 12.1076 15.0456 9.6101 10.7048 numMergedOcc 0
53 mol 238 unq 0 iso 0 dist 6.22714 7.31233 5.34096 5.17471 7.49471 7.19008 10.4664 10.5202 6.55759 12.1411 9.38422 12.1252 8.82861 6.17025 11.4385 numMergedOcc 0
54 mol 238 unq 1 iso 0 dist 6.22714 7.31233 5.34096 5.17471 7.49471 7.19008 11.2717 12.1784 7.02475 10.1756 9.38422 12.1252 8.82861 6.17025 6.65088 numMergedOcc 0
55 mol 238 unq 2 iso 0 dist 6.22714 7.31233 5.34096 5.17471 7.49471 7.19008 12.6986 12.1937 7.67322 9.50847 9.38422 12.1252 8.82861 6.17025 6.5772 numMergedOcc 0
56 mol 238 unq 3 iso 0 dist 7.31233 6.22714 5.34096 11.2717 7.02475 12.1784 5.17471 7.19008 7.49471 10.1756 9.38422 8.82861 12.1252 6.65088 6.17025 numMergedOcc 0
57 mol 238 unq 4 iso 0 dist 7.31233 6.22714 5.34096 12.6986 7.67322 12.1937 5.17471 7.19008 7.49471 9.50847 9.38422 8.82861 12.1252 6.5772 6.17025 numMergedOcc 0
