0 mol 9 unq 0 iso 0 dist 8.57077 8.47421 5.60154 8.55451 8.69454 5.66192 8.27962 6.85412 9.29529 13.2602 numMergedOcc 0
1 mol 9 unq 1 iso 0 dist 8.57077 8.47421 5.60154 8.55451 8.69454 5.66192 11.4878 6.33889 7.2199 12.6418 numMergedOcc 0
2 mol 9 unq 2 iso 0 dist 8.57077 8.47421 5.60154 5.8245 5.84314 3.91075 8.27962 6.85412 9.29529 9.71516 numMergedOcc 0
3 mol 9 unq 3 iso 0 dist 8.57077 8.47421 5.60154 5.8245 5.84314 3.91075 11.4878 6.33889 7.2199 9.81658 numMergedOcc 0
4 mol 45 unq 0 iso 0 dist 7.58835 6.34173 5.67689 9.33906 5.1274 6.00679 6.89191 9.20119 8.59109 13.126 numMergedOcc 0
5 mol 58 unq 0 iso 0 dist 7.32874 6.40841 6.75888 8.69057 5.61579 11.0945 4.55117 8.26899 8.80108 7.03126 numMergedOcc 0
6 mol 58 unq 1 iso 0 dist 6.62496 9.64665 4.67832 9.22598 9.87158 8.59939 10.2241 9.58673 13.848 15.7229 numMergedOcc 0
7 mol 58 unq 2 iso 0 dist 6.35756 8.89374 6.47744 8.96727 9.87158 14.6599 7.05413 9.58673 7.01363 15.7229 numMergedOcc 0
8 mol 58 unq 3 iso 0 dist 6.35756 8.89374 6.47744 8.01308 5.86526 9.47022 7.05413 9.58673 7.01363 12.8612 numMergedOcc 0
9 mol 72 unq 0 iso 0 dist 9.96708 6.77912 7.11552 7.12321 7.47371 9.88768 9.0131 7.321 9.19459 9.14817 numMergedOcc 0
10 mol 72 unq 1 iso 0 dist 9.96708 7.321 9.0131 9.55118 5.69391 6.74416 7.11552 6.77912 9.19459 5.4605 numMergedOcc 0
11 mol 72 unq 2 iso 0 dist 9.96708 7.321 9.0131 9.10345 13.4212 5.63793 7.11552 6.77912 9.19459 10.8476 numMergedOcc 0
12 mol 72 unq 3 iso 0 dist 9.78528 9.02278 11.6894 6.21799 7.47371 5.5067 6.11922 7.321 13.4823 9.14817 numMergedOcc 0
13 mol 72 unq 4 iso 0 dist 9.78528 9.02278 11.6894 5.03251 9.67587 4.01021 6.11922 7.321 13.4823 9.76686 numMergedOcc 0
14 mol 72 unq 5 iso 0 dist 9.78528 9.02278 11.6894 7.66093 7.07356 6.40102 6.11922 7.321 13.4823 9.437 numMergedOcc 0
15 mol 72 unq 6 iso 0 dist 9.78528 7.321 6.11922 9.55118 9.78221 6.74416 11.6894 9.02278 13.4823 16.0371 numMergedOcc 0
16 mol 72 unq 7 iso 0 dist 9.78528 7.321 6.11922 9.10345 11.6634 5.63793 11.6894 9.02278 13.4823 18.3118 numMergedOcc 0
17 mol 88 unq 0 iso 0 dist 9.36773 8.66514 8.4283 7.80898 12.1193 7.15936 6.95868 9.2603 13.649 12.9048 numMergedOcc 0
18 mol 88 unq 1 iso 0 dist 9.36773 9.25235 5.37521 7.80898 12.1193 10.8763 6.95868 9.2603 12.48 12.9048 numMergedOcc 0
19 mol 100 unq 0 iso 0 dist 7.47343 8.72704 10.1589 7.82475 5.9143 12.5061 15.209 7.75343 16.0363 11.3652 numMergedOcc 0
20 mol 100 unq 1 iso 0 dist 7.47343 8.72704 10.1589 5.35782 5.47563 12.1093 15.209 7.75343 16.0363 12.1809 numMergedOcc 0
21 mol 115 unq 0 iso 0 dist 9.33865 9.66954 6.09023 6.39384 6.63111 6.49835 10.7942 7.76729 12.4065 8.0168 numMergedOcc 0
22 mol 115 unq 1 iso 0 dist 9.33865 7.64585 10.2377 6.39384 6.63111 5.65471 10.7942 7.76729 6.40036 8.0168 numMergedOcc 0
23 mol 115 unq 2 iso 0 dist 9.33865 7.76729 10.7942 6.24825 6.95773 5.78043 6.09023 9.66954 12.4065 10.8109 numMergedOcc 0
24 mol 115 unq 3 iso 0 dist 9.33865 7.76729 10.7942 6.24825 6.95773 5.78043 10.2377 7.64585 6.40036 7.65255 numMergedOcc 0
25 mol 115 unq 4 iso 0 dist 5.83991 8.66155 6.09023 7.69765 4.48636 9.13361 10.9739 7.76729 12.4065 10.1174 numMergedOcc 0
26 mol 115 unq 5 iso 0 dist 5.83991 8.66155 6.09023 9.42082 6.63111 6.49835 10.9739 7.76729 12.4065 8.0168 numMergedOcc 0
27 mol 115 unq 6 iso 0 dist 5.83991 7.76729 10.9739 6.24825 6.01673 5.78043 6.09023 8.66155 12.4065 10.8109 numMergedOcc 0
28 mol 115 unq 7 iso 0 dist 6.11741 9.66954 4.61908 6.39384 6.07067 6.49835 10.8292 6.99777 9.9411 12.9982 numMergedOcc 0
29 mol 115 unq 8 iso 0 dist 6.11741 9.66954 4.61908 6.39384 6.07067 6.49835 6.12943 9.14376 11.764 10.7985 numMergedOcc 0
30 mol 115 unq 9 iso 0 dist 6.11741 7.64585 10.8939 6.39384 6.07067 5.65471 10.8292 6.99777 17.3282 12.9982 numMergedOcc 0
31 mol 115 unq 10 iso 0 dist 6.11741 7.64585 10.8939 6.39384 6.07067 5.65471 6.12943 9.14376 12.1188 10.7985 numMergedOcc 0
32 mol 115 unq 11 iso 0 dist 7.88312 8.66155 4.61908 7.69765 11.835 9.13361 11.7126 6.99777 9.9411 16.7897 numMergedOcc 0
33 mol 115 unq 12 iso 0 dist 7.88312 8.66155 4.61908 7.69765 11.835 9.13361 4.62962 9.14376 11.764 12.0921 numMergedOcc 0
34 mol 115 unq 13 iso 0 dist 7.88312 8.66155 4.61908 9.42082 6.07067 6.49835 11.7126 6.99777 9.9411 12.9982 numMergedOcc 0
35 mol 115 unq 14 iso 0 dist 7.88312 8.66155 4.61908 9.42082 6.07067 6.49835 4.62962 9.14376 11.764 10.7985 numMergedOcc 0
36 mol 127 unq 0 iso 0 dist 9.30299 9.81878 4.77464 6.08673 12.8087 12.2579 14.085 8.59981 6.3244 17.7403 numMergedOcc 0
37 mol 127 unq 1 iso 0 dist 9.30299 9.81878 4.77464 6.08673 12.8087 12.2579 13.1312 7.34519 11.7518 17.9198 numMergedOcc 0
38 mol 155 unq 0 iso 0 dist 7.46303 9.14392 6.3845 8.97626 9.16779 12.0485 6.3437 9.17284 6.51096 13.5963 numMergedOcc 0
39 mol 155 unq 1 iso 0 dist 7.46303 7.51198 5.86939 8.97626 9.16779 4.48516 6.3437 9.17284 10.3514 13.5963 numMergedOcc 0
40 mol 155 unq 2 iso 0 dist 6.43582 9.14392 12.1814 8.97626 4.91785 12.0485 12.8482 9.38946 18.2998 7.29911 numMergedOcc 0
41 mol 155 unq 3 iso 0 dist 6.43582 9.14392 12.1814 8.97626 4.91785 12.0485 8.27726 7.36102 13.2154 5.36254 numMergedOcc 0
42 mol 155 unq 4 iso 0 dist 6.43582 7.51198 6.34186 8.97626 4.91785 4.48516 12.8482 9.38946 11.3251 7.29911 numMergedOcc 0
43 mol 155 unq 5 iso 0 dist 6.43582 7.51198 6.34186 8.97626 4.91785 4.48516 8.27726 7.36102 7.37901 5.36254 numMergedOcc 0
44 mol 181 unq 0 iso 0 dist 7.81386 7.98142 9.53462 6.64173 6.8757 4.48306 6.7991 4.93785 12.2455 9.09234 numMergedOcc 0
45 mol 181 unq 1 iso 0 dist 7.81386 7.98142 9.53462 9.01624 5.71898 12.2513 6.7991 4.93785 12.2455 6.76746 numMergedOcc 0
46 mol 181 unq 2 iso 0 dist 7.81386 7.98142 9.53462 9.55105 5.83796 10.2172 6.7991 4.93785 12.2455 8.92098 numMergedOcc 0
47 mol 181 unq 3 iso 0 dist 7.81386 7.37327 11.1462 6.64173 6.8757 4.88823 6.7991 4.93785 11.691 9.09234 numMergedOcc 0
48 mol 181 unq 4 iso 0 dist 7.81386 7.37327 11.1462 9.01624 5.71898 14.8923 6.7991 4.93785 11.691 6.76746 numMergedOcc 0
49 mol 181 unq 5 iso 0 dist 7.81386 7.37327 11.1462 9.55105 5.83796 14.2334 6.7991 4.93785 11.691 8.92098 numMergedOcc 0
50 mol 181 unq 6 iso 0 dist 7.63312 7.98142 9.60512 6.64173 10.6474 4.48306 4.80231 6.93764 10.7841 10.9785 numMergedOcc 0
51 mol 181 unq 7 iso 0 dist 7.63312 7.98142 9.60512 9.01624 5.93724 12.2513 4.80231 6.93764 10.7841 10.1634 numMergedOcc 0
52 mol 181 unq 8 iso 0 dist 7.63312 7.98142 9.60512 9.55105 5.12833 10.2172 4.80231 6.93764 10.7841 10.9567 numMergedOcc 0
53 mol 181 unq 9 iso 0 dist 7.63312 7.37327 13.3389 6.64173 10.6474 4.88823 4.80231 6.93764 11.1129 10.9785 numMergedOcc 0
54 mol 181 unq 10 iso 0 dist 7.63312 7.37327 13.3389 9.01624 5.93724 14.8923 4.80231 6.93764 11.1129 10.1634 numMergedOcc 0
55 mol 181 unq 11 iso 0 dist 7.63312 7.37327 13.3389 9.55105 5.12833 14.2334 4.80231 6.93764 11.1129 10.9567 numMergedOcc 0
56 mol 214 unq 0 iso 0 dist 8.85478 6.97182 8.47007 7.46481 11.1534 11.357 6.67959 7.46831 11.7443 8.70987 numMergedOcc 0
57 mol 214 unq 1 iso 0 dist 8.85478 6.1175 12.8334 7.46481 11.1534 10.9581 6.67959 7.46831 12.7646 8.70987 numMergedOcc 0
58 mol 224 unq 0 iso 0 dist 6.57273 6.65984 5.29877 8.79428 7.05804 10.9705 7.12232 6.87664 9.47554 10.8888 numMergedOcc 0
59 mol 248 unq 0 iso 0 dist 7.69895 8.50864 10.1857 9.05018 4.58289 13.1523 6.48757 6.07192 13.4404 5.0345 numMergedOcc 0
60 mol 259 unq 0 iso 0 dist 5.30224 6.77938 4.99891 8.03219 4.04513 8.90322 5.31048 8.37865 11.4462 8.84648 numMergedOcc 0
61 mol 259 unq 1 iso 0 dist 5.30224 6.77938 4.99891 6.9899 7.09907 9.2872 5.31048 8.37865 11.4462 6.23661 numMergedOcc 0
62 mol 259 unq 2 iso 0 dist 5.30224 7.76676 5.32839 8.03219 4.04513 7.27192 5.31048 8.37865 9.64797 8.84648 numMergedOcc 0
63 mol 259 unq 3 iso 0 dist 5.30224 7.76676 5.32839 6.9899 7.09907 4.61451 5.31048 8.37865 9.64797 6.23661 numMergedOcc 0
