0 mol 9 unq 0 iso 0 dist 8.57077 8.47421 5.60154 8.27962 6.85412 9.29529 11.4878 6.33889 7.2199 5.80437 numMergedOcc 0
1 mol 9 unq 0 iso 1 dist 8.57077 8.47421 5.60154 11.4878 6.33889 7.2199 8.27962 6.85412 9.29529 5.80437 numMergedOcc 0
2 mol 9 unq 1 iso 0 dist 8.57077 6.33889 11.4878 5.60154 8.47421 7.2199 4.61049 12.6047 6.9513 6.27573 numMergedOcc 0
3 mol 9 unq 1 iso 1 dist 8.57077 6.33889 11.4878 4.61049 12.6047 6.9513 5.60154 8.47421 7.2199 6.27573 numMergedOcc 0
4 mol 9 unq 2 iso 0 dist 8.57077 6.33889 11.4878 5.60154 8.47421 7.2199 6.64015 14.9473 9.16116 11.1737 numMergedOcc 0
5 mol 9 unq 2 iso 1 dist 8.57077 6.33889 11.4878 6.64015 14.9473 9.16116 5.60154 8.47421 7.2199 11.1737 numMergedOcc 0
6 mol 9 unq 3 iso 0 dist 8.57077 6.33889 11.4878 5.60154 8.47421 7.2199 13.7377 16.8226 8.47109 10.9842 numMergedOcc 0
7 mol 9 unq 3 iso 1 dist 8.57077 6.33889 11.4878 13.7377 16.8226 8.47109 5.60154 8.47421 7.2199 10.9842 numMergedOcc 0
8 mol 9 unq 2 iso 0 dist 8.57077 6.33889 11.4878 4.61049 12.6047 6.9513 6.64015 14.9473 9.16116 5.63132 numMergedOcc 0
9 mol 9 unq 2 iso 1 dist 8.57077 6.33889 11.4878 6.64015 14.9473 9.16116 4.61049 12.6047 6.9513 5.63132 numMergedOcc 0
10 mol 9 unq 3 iso 0 dist 8.57077 6.33889 11.4878 4.61049 12.6047 6.9513 13.7377 16.8226 8.47109 12.6338 numMergedOcc 0
11 mol 9 unq 3 iso 1 dist 8.57077 6.33889 11.4878 13.7377 16.8226 8.47109 4.61049 12.6047 6.9513 12.6338 numMergedOcc 0
12 mol 9 unq 3 iso 0 dist 8.57077 6.33889 11.4878 6.64015 14.9473 9.16116 13.7377 16.8226 8.47109 16.406 numMergedOcc 0
13 mol 9 unq 3 iso 1 dist 8.57077 6.33889 11.4878 13.7377 16.8226 8.47109 6.64015 14.9473 9.16116 16.406 numMergedOcc 0
14 mol 45 unq 0 iso 0 dist 7.58835 9.20119 6.89191 5.67689 6.34173 8.59109 16.2375 14.4997 8.13782 14.5783 numMergedOcc 0
15 mol 45 unq 0 iso 1 dist 7.58835 9.20119 6.89191 16.2375 14.4997 8.13782 5.67689 6.34173 8.59109 14.5783 numMergedOcc 0
16 mol 58 unq 0 iso 0 dist 7.32874 6.40841 6.75888 4.55117 8.26899 8.80108 5.64209 11.3177 6.50297 7.57085 numMergedOcc 0
17 mol 58 unq 0 iso 1 dist 7.32874 6.40841 6.75888 5.64209 11.3177 6.50297 4.55117 8.26899 8.80108 7.57085 numMergedOcc 0
18 mol 58 unq 1 iso 0 dist 6.86465 8.63333 6.47744 10.6476 12.4575 6.96494 5.92889 9.58673 7.01363 6.49184 numMergedOcc 0
19 mol 58 unq 1 iso 1 dist 6.86465 8.63333 6.47744 5.92889 9.58673 7.01363 10.6476 12.4575 6.96494 6.49184 numMergedOcc 0
20 mol 58 unq 2 iso 0 dist 6.35756 8.89374 6.47744 12.7331 12.4575 6.96494 7.05413 9.58673 7.01363 6.49184 numMergedOcc 0
21 mol 58 unq 2 iso 1 dist 6.35756 8.89374 6.47744 7.05413 9.58673 7.01363 12.7331 12.4575 6.96494 6.49184 numMergedOcc 0
22 mol 58 unq 3 iso 0 dist 6.64012 6.46761 5.24906 8.74789 9.89984 6.96494 6.61756 10.9283 7.01363 6.49184 numMergedOcc 0
23 mol 58 unq 3 iso 1 dist 6.64012 6.46761 5.24906 6.61756 10.9283 7.01363 8.74789 9.89984 6.96494 6.49184 numMergedOcc 0
24 mol 58 unq 4 iso 0 dist 6.64012 7.58407 5.11205 14.7581 13.7148 8.80108 8.74789 9.89984 6.50297 7.57085 numMergedOcc 0
25 mol 58 unq 4 iso 1 dist 6.64012 7.58407 5.11205 8.74789 9.89984 6.50297 14.7581 13.7148 8.80108 7.57085 numMergedOcc 0
26 mol 58 unq 5 iso 0 dist 9.4099 9.73139 5.24906 7.02095 9.89984 6.96494 8.94672 10.9283 7.01363 6.49184 numMergedOcc 0
27 mol 58 unq 5 iso 1 dist 9.4099 9.73139 5.24906 8.94672 10.9283 7.01363 7.02095 9.89984 6.96494 6.49184 numMergedOcc 0
28 mol 58 unq 6 iso 0 dist 9.4099 6.31428 5.11205 10.3782 13.7148 8.80108 7.02095 9.89984 6.50297 7.57085 numMergedOcc 0
29 mol 58 unq 6 iso 1 dist 9.4099 6.31428 5.11205 7.02095 9.89984 6.50297 10.3782 13.7148 8.80108 7.57085 numMergedOcc 0
30 mol 58 unq 7 iso 0 dist 9.55426 9.73139 13.1021 7.02095 11.3177 6.96494 8.94672 16.3779 7.01363 6.49184 numMergedOcc 0
31 mol 58 unq 7 iso 1 dist 9.55426 9.73139 13.1021 8.94672 16.3779 7.01363 7.02095 11.3177 6.96494 6.49184 numMergedOcc 0
32 mol 58 unq 8 iso 0 dist 9.55426 6.31428 6.75888 10.3782 8.26899 8.80108 7.02095 11.3177 6.50297 7.57085 numMergedOcc 0
33 mol 58 unq 8 iso 1 dist 9.55426 6.31428 6.75888 7.02095 11.3177 6.50297 10.3782 8.26899 8.80108 7.57085 numMergedOcc 0
34 mol 72 unq 0 iso 0 dist 9.96708 7.321 9.0131 7.11552 6.77912 9.19459 7.17489 10.4676 8.59747 4.64409 numMergedOcc 0
35 mol 72 unq 0 iso 1 dist 9.96708 7.321 9.0131 7.17489 10.4676 8.59747 7.11552 6.77912 9.19459 4.64409 numMergedOcc 0
36 mol 72 unq 1 iso 0 dist 9.78528 7.321 6.11922 7.11552 11.9814 9.19459 7.17489 13.3943 8.59747 4.64409 numMergedOcc 0
37 mol 72 unq 1 iso 1 dist 9.78528 7.321 6.11922 7.17489 13.3943 8.59747 7.11552 11.9814 9.19459 4.64409 numMergedOcc 0
38 mol 115 unq 0 iso 0 dist 9.33865 7.76729 10.7942 6.34759 12.0409 7.99631 10.2377 7.64585 6.40036 9.37623 numMergedOcc 0
39 mol 115 unq 0 iso 1 dist 9.33865 7.76729 10.7942 10.2377 7.64585 6.40036 6.34759 12.0409 7.99631 9.37623 numMergedOcc 0
40 mol 115 unq 1 iso 0 dist 5.83991 7.76729 10.9739 6.34759 11.8557 7.99631 10.2377 12.2309 6.40036 9.37623 numMergedOcc 0
41 mol 115 unq 1 iso 1 dist 5.83991 7.76729 10.9739 10.2377 12.2309 6.40036 6.34759 11.8557 7.99631 9.37623 numMergedOcc 0
42 mol 133 unq 0 iso 0 dist 7.11802 7.92688 4.68409 11.8989 14.0449 9.94276 15.0734 13.5624 9.05357 7.38238 numMergedOcc 0
43 mol 133 unq 0 iso 1 dist 7.11802 7.92688 4.68409 15.0734 13.5624 9.05357 11.8989 14.0449 9.94276 7.38238 numMergedOcc 0
44 mol 133 unq 1 iso 0 dist 7.11802 7.92688 4.68409 11.8989 14.0449 9.94276 9.58627 9.65709 5.99299 7.08159 numMergedOcc 0
45 mol 133 unq 1 iso 1 dist 7.11802 7.92688 4.68409 9.58627 9.65709 5.99299 11.8989 14.0449 9.94276 7.08159 numMergedOcc 0
46 mol 133 unq 1 iso 0 dist 7.11802 7.92688 4.68409 15.0734 13.5624 9.05357 9.58627 9.65709 5.99299 9.00907 numMergedOcc 0
47 mol 133 unq 1 iso 1 dist 7.11802 7.92688 4.68409 9.58627 9.65709 5.99299 15.0734 13.5624 9.05357 9.00907 numMergedOcc 0
48 mol 133 unq 2 iso 0 dist 8.00618 7.92688 12.2037 11.8989 19.3117 9.94276 15.0734 20.5979 9.05357 7.38238 numMergedOcc 0
49 mol 133 unq 2 iso 1 dist 8.00618 7.92688 12.2037 15.0734 20.5979 9.05357 11.8989 19.3117 9.94276 7.38238 numMergedOcc 0
50 mol 133 unq 3 iso 0 dist 8.00618 7.92688 12.2037 11.8989 19.3117 9.94276 9.58627 16.126 5.99299 7.08159 numMergedOcc 0
51 mol 133 unq 3 iso 1 dist 8.00618 7.92688 12.2037 9.58627 16.126 5.99299 11.8989 19.3117 9.94276 7.08159 numMergedOcc 0
52 mol 133 unq 3 iso 0 dist 8.00618 7.92688 12.2037 15.0734 20.5979 9.05357 9.58627 16.126 5.99299 9.00907 numMergedOcc 0
53 mol 133 unq 3 iso 1 dist 8.00618 7.92688 12.2037 9.58627 16.126 5.99299 15.0734 20.5979 9.05357 9.00907 numMergedOcc 0
54 mol 155 unq 0 iso 0 dist 6.23493 7.16254 6.3845 4.9093 9.17284 6.51096 10.7896 13.2459 8.73171 6.0706 numMergedOcc 0
55 mol 155 unq 0 iso 1 dist 6.23493 7.16254 6.3845 10.7896 13.2459 8.73171 4.9093 9.17284 6.51096 6.0706 numMergedOcc 0
56 mol 155 unq 1 iso 0 dist 7.46303 9.14392 6.3845 6.3437 9.17284 6.51096 9.99927 13.2459 8.73171 6.0706 numMergedOcc 0
57 mol 155 unq 1 iso 1 dist 7.46303 9.14392 6.3845 9.99927 13.2459 8.73171 6.3437 9.17284 6.51096 6.0706 numMergedOcc 0
58 mol 155 unq 2 iso 0 dist 6.43582 9.14392 12.1814 6.3437 12.2465 6.51096 9.99927 15.1841 8.73171 6.0706 numMergedOcc 0
59 mol 155 unq 2 iso 1 dist 6.43582 9.14392 12.1814 9.99927 15.1841 8.73171 6.3437 12.2465 6.51096 6.0706 numMergedOcc 0
60 mol 181 unq 0 iso 0 dist 9.15386 9.6668 8.25067 6.80228 6.94688 8.20656 11.6919 6.71012 9.40622 5.3528 numMergedOcc 0
61 mol 181 unq 0 iso 1 dist 9.15386 9.6668 8.25067 11.6919 6.71012 9.40622 6.80228 6.94688 8.20656 5.3528 numMergedOcc 0
62 mol 224 unq 0 iso 0 dist 8.95269 6.87664 7.98696 9.36098 7.06793 8.89778 5.29877 6.67585 9.47554 6.88258 numMergedOcc 0
63 mol 224 unq 0 iso 1 dist 8.95269 6.87664 7.98696 5.29877 6.67585 9.47554 9.36098 7.06793 8.89778 6.88258 numMergedOcc 0
64 mol 224 unq 1 iso 0 dist 6.57273 6.87664 7.12232 9.36098 10.0414 8.89778 5.29877 6.65984 9.47554 6.88258 numMergedOcc 0
65 mol 224 unq 1 iso 1 dist 6.57273 6.87664 7.12232 5.29877 6.65984 9.47554 9.36098 10.0414 8.89778 6.88258 numMergedOcc 0
66 mol 224 unq 2 iso 0 dist 5.78342 6.87664 5.3621 9.36098 12.7072 8.89778 5.29877 10.667 9.47554 6.88258 numMergedOcc 0
67 mol 224 unq 2 iso 1 dist 5.78342 6.87664 5.3621 5.29877 10.667 9.47554 9.36098 12.7072 8.89778 6.88258 numMergedOcc 0
68 mol 234 unq 0 iso 0 dist 9.45496 9.5707 15.9563 5.56749 15.004 8.49841 12.1076 17.6567 9.6101 10.9755 numMergedOcc 0
69 mol 234 unq 0 iso 1 dist 9.45496 9.5707 15.9563 12.1076 17.6567 9.6101 5.56749 15.004 8.49841 10.9755 numMergedOcc 0
70 mol 234 unq 1 iso 0 dist 6.7625 9.5707 14.4106 5.56749 10.8628 8.49841 12.1076 12.6312 9.6101 10.9755 numMergedOcc 0
71 mol 234 unq 1 iso 1 dist 6.7625 9.5707 14.4106 12.1076 12.6312 9.6101 5.56749 10.8628 8.49841 10.9755 numMergedOcc 0
