0 mol 25 unq 0 iso 0 dist 6.03987 7.31767 4.51512 7.685 10.3635 8.43188 4.77954 7.99919 11.0249 12.201 numMergedOcc 0
1 mol 43 unq 0 iso 0 dist 8.80331 6.20293 8.13395 9.83618 10.4442 9.49077 5.41726 6.6263 6.75943 13.07 numMergedOcc 0
2 mol 43 unq 1 iso 0 dist 6.20293 8.80331 8.13395 9.83618 9.49077 10.4442 5.41726 6.75943 6.6263 13.07 numMergedOcc 0
3 mol 58 unq 0 iso 0 dist 6.81627 7.32874 5.47421 8.26899 5.98837 4.55117 5.61579 5.38524 8.69057 7.03126 numMergedOcc 0
4 mol 58 unq 1 iso 0 dist 6.81627 9.55426 9.7274 8.26899 5.98837 10.3782 5.61579 5.38524 13.1897 7.03126 numMergedOcc 0
5 mol 58 unq 2 iso 0 dist 7.32874 6.81627 5.47421 8.26899 4.55117 5.98837 5.61579 8.69057 5.38524 7.03126 numMergedOcc 0
6 mol 58 unq 3 iso 0 dist 7.32874 9.55426 5.90225 8.26899 4.55117 10.3782 5.61579 8.69057 13.1897 7.03126 numMergedOcc 0
7 mol 58 unq 4 iso 0 dist 6.62496 6.86465 5.30792 9.58673 10.2241 5.92889 9.87158 9.22598 13.3281 15.7229 numMergedOcc 0
8 mol 58 unq 5 iso 0 dist 6.62496 6.35756 4.81926 9.58673 10.2241 7.05413 9.87158 9.22598 8.96727 15.7229 numMergedOcc 0
9 mol 58 unq 6 iso 0 dist 6.35756 6.86465 5.35073 9.58673 7.05413 5.92889 9.87158 8.96727 13.3281 15.7229 numMergedOcc 0
10 mol 58 unq 7 iso 0 dist 6.35756 6.86465 5.35073 9.58673 7.05413 5.92889 5.86526 8.01308 11.5155 12.8612 numMergedOcc 0
11 mol 58 unq 8 iso 0 dist 6.35756 6.62496 4.81926 9.58673 7.05413 10.2241 9.87158 8.96727 9.22598 15.7229 numMergedOcc 0
12 mol 58 unq 9 iso 0 dist 6.35756 6.62496 4.81926 9.58673 7.05413 10.2241 5.86526 8.01308 9.55996 12.8612 numMergedOcc 0
13 mol 58 unq 10 iso 0 dist 9.4099 9.55426 10.6169 9.73139 5.24906 13.1021 8.55984 9.08221 15.6595 10.1478 numMergedOcc 0
14 mol 58 unq 11 iso 0 dist 9.4099 9.55426 10.6169 6.31428 5.11205 6.75888 8.55984 9.08221 15.6595 10.7327 numMergedOcc 0
15 mol 72 unq 0 iso 0 dist 9.96708 8.8178 10.7394 6.77912 7.11552 12.0644 5.69391 9.55118 13.6019 5.4605 numMergedOcc 0
16 mol 72 unq 1 iso 0 dist 9.96708 8.8178 10.7394 6.77912 7.11552 12.0644 13.4212 9.10345 18.0706 10.8476 numMergedOcc 0
17 mol 72 unq 2 iso 0 dist 9.96708 9.78528 8.24309 7.321 9.0131 6.11922 7.47371 7.12321 6.21799 9.14817 numMergedOcc 0
18 mol 72 unq 3 iso 0 dist 9.78528 9.96708 8.24309 7.321 6.11922 9.0131 7.47371 6.21799 7.12321 9.14817 numMergedOcc 0
19 mol 72 unq 4 iso 0 dist 9.78528 9.96708 8.24309 7.321 6.11922 9.0131 9.67587 5.03251 9.35457 9.76686 numMergedOcc 0
20 mol 72 unq 5 iso 0 dist 9.78528 9.96708 8.24309 7.321 6.11922 9.0131 7.07356 7.66093 12.1131 9.437 numMergedOcc 0
21 mol 85 unq 0 iso 0 dist 6.19965 7.97049 5.42586 9.47876 11.6116 7.98917 4.41789 7.7068 10.2413 10.7558 numMergedOcc 0
22 mol 85 unq 1 iso 0 dist 7.66905 7.47541 5.42586 7.22293 11.6116 7.98917 5.59906 7.7068 10.2413 10.7558 numMergedOcc 0
23 mol 85 unq 2 iso 0 dist 7.66905 5.73196 10.1164 7.22293 11.6116 6.47779 5.59906 7.7068 11.2056 10.7558 numMergedOcc 0
24 mol 88 unq 0 iso 0 dist 9.36773 8.31336 5.57085 9.2603 6.95868 6.97239 12.1193 7.80898 12.785 12.9048 numMergedOcc 0
25 mol 92 unq 0 iso 0 dist 9.33898 9.64443 13.1316 8.36431 10.9701 12.4284 4.3481 7.06939 12.4681 10.5758 numMergedOcc 0
26 mol 92 unq 1 iso 0 dist 9.64443 9.33898 13.1316 8.36431 12.4284 10.9701 5.31547 9.36001 10.9241 13.3865 numMergedOcc 0
27 mol 100 unq 0 iso 0 dist 9.60661 7.17106 11.5403 6.58204 10.9608 5.01145 4.03277 8.91882 10.5432 10.259 numMergedOcc 0
28 mol 100 unq 1 iso 0 dist 9.60661 9.35224 7.80879 6.58204 10.9608 5.69137 4.03277 8.91882 11.5088 10.259 numMergedOcc 0
29 mol 100 unq 2 iso 0 dist 7.47343 6.65086 8.8807 7.75343 15.209 10.9608 5.9143 7.82475 11.9928 11.3652 numMergedOcc 0
30 mol 100 unq 3 iso 0 dist 7.47343 6.65086 8.8807 7.75343 15.209 10.9608 5.47563 5.35782 9.94341 12.1809 numMergedOcc 0
31 mol 100 unq 4 iso 0 dist 7.47343 6.56369 12.6515 7.75343 15.209 5.69137 5.9143 7.82475 10.694 11.3652 numMergedOcc 0
32 mol 100 unq 5 iso 0 dist 7.47343 6.56369 12.6515 7.75343 15.209 5.69137 5.47563 5.35782 9.82522 12.1809 numMergedOcc 0
33 mol 100 unq 6 iso 0 dist 7.47343 9.30209 13.887 7.75343 15.209 9.21622 5.9143 7.82475 14.966 11.3652 numMergedOcc 0
34 mol 100 unq 7 iso 0 dist 7.47343 9.30209 13.887 7.75343 15.209 9.21622 5.47563 5.35782 13.4844 12.1809 numMergedOcc 0
35 mol 100 unq 8 iso 0 dist 6.65086 7.47343 8.8807 7.75343 10.9608 15.209 6.23008 8.91882 9.76432 10.259 numMergedOcc 0
36 mol 100 unq 9 iso 0 dist 6.65086 6.56369 7.80879 7.75343 10.9608 5.69137 6.23008 8.91882 11.5088 10.259 numMergedOcc 0
37 mol 100 unq 10 iso 0 dist 6.65086 9.30209 5.38414 7.75343 10.9608 9.21622 6.23008 8.91882 11.6812 10.259 numMergedOcc 0
38 mol 115 unq 0 iso 0 dist 7.30858 5.83991 10.8507 8.66155 11.3902 6.09023 5.03039 6.04595 10.5599 13.0432 numMergedOcc 0
39 mol 115 unq 1 iso 0 dist 7.30858 7.88312 11.5723 8.66155 11.3902 4.61908 5.03039 6.04595 11.8378 13.0432 numMergedOcc 0
40 mol 115 unq 2 iso 0 dist 9.33865 6.11741 8.02349 9.66954 6.09023 4.61908 6.95773 6.24825 10.0255 10.8109 numMergedOcc 0
41 mol 115 unq 3 iso 0 dist 9.33865 6.11741 8.02349 7.64585 10.2377 10.8939 6.95773 6.24825 10.0255 7.65255 numMergedOcc 0
42 mol 115 unq 4 iso 0 dist 9.33865 5.83991 7.69052 7.76729 10.7942 10.9739 6.63111 6.39384 9.42082 8.0168 numMergedOcc 0
43 mol 115 unq 5 iso 0 dist 5.83991 7.30858 10.8507 8.66155 6.09023 11.3902 6.01673 6.24825 13.22 10.8109 numMergedOcc 0
44 mol 115 unq 6 iso 0 dist 5.83991 7.88312 8.02349 8.66155 6.09023 4.61908 6.01673 6.24825 10.0255 10.8109 numMergedOcc 0
45 mol 115 unq 7 iso 0 dist 5.83991 9.33865 7.69052 7.76729 10.9739 10.7942 4.48636 7.69765 13.4105 10.1174 numMergedOcc 0
46 mol 115 unq 8 iso 0 dist 5.83991 9.33865 7.69052 7.76729 10.9739 10.7942 6.63111 9.42082 6.39384 8.0168 numMergedOcc 0
47 mol 115 unq 9 iso 0 dist 6.11741 7.88312 7.69052 6.99777 10.8292 11.7126 6.07067 6.39384 9.42082 12.9982 numMergedOcc 0
48 mol 115 unq 10 iso 0 dist 6.11741 7.88312 7.69052 9.14376 6.12943 4.62962 6.07067 6.39384 9.42082 10.7985 numMergedOcc 0
49 mol 115 unq 11 iso 0 dist 7.88312 6.11741 7.69052 6.99777 11.7126 10.8292 11.835 7.69765 13.4105 16.7897 numMergedOcc 0
50 mol 115 unq 12 iso 0 dist 7.88312 6.11741 7.69052 6.99777 11.7126 10.8292 6.07067 9.42082 6.39384 12.9982 numMergedOcc 0
51 mol 115 unq 13 iso 0 dist 7.88312 6.11741 7.69052 9.14376 4.62962 6.12943 11.835 7.69765 13.4105 12.0921 numMergedOcc 0
52 mol 115 unq 14 iso 0 dist 7.88312 6.11741 7.69052 9.14376 4.62962 6.12943 6.07067 9.42082 6.39384 10.7985 numMergedOcc 0
53 mol 117 unq 0 iso 0 dist 7.90328 9.84395 13.1058 6.62561 4.91401 11.3679 7.20875 8.84018 16.804 9.94053 numMergedOcc 0
54 mol 127 unq 0 iso 0 dist 9.30299 8.14887 7.30196 8.59981 14.085 14.9761 12.8087 6.08673 12.1234 17.7403 numMergedOcc 0
55 mol 127 unq 1 iso 0 dist 9.30299 8.14887 7.30196 7.34519 13.1312 7.41404 12.8087 6.08673 12.1234 17.9198 numMergedOcc 0
56 mol 133 unq 0 iso 0 dist 8.00618 7.11802 8.18495 7.92688 12.2037 4.68409 15.0115 8.77023 12.5855 16.243 numMergedOcc 0
57 mol 134 unq 0 iso 0 dist 8.94367 9.86662 6.81259 8.79571 5.41704 6.17103 7.41373 9.33094 8.69531 11.7151 numMergedOcc 0
58 mol 134 unq 1 iso 0 dist 6.37586 9.71307 6.81259 5.42582 5.41704 6.17103 10.8635 9.33094 8.69531 11.7151 numMergedOcc 0
59 mol 134 unq 2 iso 0 dist 6.49416 6.54501 5.00526 8.6355 5.41704 10.1448 12.3479 9.33094 11.2896 11.7151 numMergedOcc 0
60 mol 134 unq 3 iso 0 dist 9.86662 8.94367 6.81259 8.79571 6.17103 5.41704 12.8086 9.1998 11.0808 14.0978 numMergedOcc 0
61 mol 134 unq 4 iso 0 dist 9.86662 8.94367 6.81259 8.79571 6.17103 5.41704 7.41373 8.69531 9.33094 11.7151 numMergedOcc 0
62 mol 134 unq 5 iso 0 dist 9.71307 6.37586 6.81259 5.42582 6.17103 5.41704 15.0225 9.1998 11.0808 14.0978 numMergedOcc 0
63 mol 134 unq 6 iso 0 dist 9.71307 6.37586 6.81259 5.42582 6.17103 5.41704 10.8635 8.69531 9.33094 11.7151 numMergedOcc 0
64 mol 152 unq 0 iso 0 dist 8.56324 6.70283 7.65448 9.13561 5.99333 8.25411 5.39112 6.59889 6.70693 10.5081 numMergedOcc 0
65 mol 152 unq 1 iso 0 dist 8.56324 6.70283 7.65448 9.13561 5.99333 8.25411 4.84714 8.9192 9.27706 12.0501 numMergedOcc 0
66 mol 152 unq 2 iso 0 dist 8.56324 7.16148 10.6875 9.13561 5.99333 7.89109 5.39112 6.59889 10.4895 10.5081 numMergedOcc 0
67 mol 152 unq 3 iso 0 dist 8.56324 7.16148 10.6875 9.13561 5.99333 7.89109 4.84714 8.9192 11.6735 12.0501 numMergedOcc 0
68 mol 152 unq 4 iso 0 dist 6.70283 8.56324 7.65448 9.13561 8.25411 5.99333 5.39112 6.70693 6.59889 10.5081 numMergedOcc 0
69 mol 152 unq 5 iso 0 dist 6.70283 7.16148 5.49936 9.13561 8.25411 7.89109 5.39112 6.70693 10.4895 10.5081 numMergedOcc 0
70 mol 155 unq 0 iso 0 dist 7.46303 6.23493 5.71071 9.17284 6.3437 4.9093 9.16779 8.97626 12.9034 13.5963 numMergedOcc 0
71 mol 178 unq 0 iso 0 dist 6.69288 6.43573 5.34677 8.96511 10.5783 5.96647 6.42973 7.06025 10.0638 12.6109 numMergedOcc 0
72 mol 178 unq 1 iso 0 dist 6.69288 7.17202 11.7381 8.96511 10.5783 12.075 6.42973 7.06025 13.2692 12.6109 numMergedOcc 0
73 mol 178 unq 2 iso 0 dist 6.69288 8.81551 14.0703 8.96511 10.5783 9.92132 6.42973 7.06025 15.0672 12.6109 numMergedOcc 0
74 mol 181 unq 0 iso 0 dist 9.1374 5.98885 8.88798 6.94688 6.25083 5.86342 12.9532 9.76212 13.2783 14.5897 numMergedOcc 0
75 mol 181 unq 1 iso 0 dist 9.1374 5.98885 8.88798 6.71012 4.77278 9.14057 12.9532 9.76212 13.2783 12.3788 numMergedOcc 0
76 mol 181 unq 2 iso 0 dist 9.1374 9.15386 12.1628 6.94688 6.25083 6.80228 12.9532 9.76212 18.2853 14.5897 numMergedOcc 0
77 mol 181 unq 3 iso 0 dist 9.1374 9.15386 12.1628 6.71012 4.77278 11.6919 12.9532 9.76212 18.2853 12.3788 numMergedOcc 0
78 mol 222 unq 0 iso 0 dist 7.21333 8.01589 13.3522 6.82208 12.2813 4.8892 6.84862 5.56538 14.4477 11.8745 numMergedOcc 0
79 mol 222 unq 1 iso 0 dist 7.21333 8.01589 13.3522 6.82208 12.2813 4.8892 9.53117 7.48954 16.3082 12.9858 numMergedOcc 0
80 mol 222 unq 2 iso 0 dist 7.21333 7.7699 5.24516 6.82208 12.2813 11.0074 6.84862 5.56538 10.0233 11.8745 numMergedOcc 0
81 mol 222 unq 3 iso 0 dist 7.21333 7.7699 5.24516 6.82208 12.2813 11.0074 9.53117 7.48954 11.839 12.9858 numMergedOcc 0
82 mol 224 unq 0 iso 0 dist 6.61986 9.40098 9.54151 8.19953 10.7113 8.64911 5.13732 8.08349 11.2501 5.73591 numMergedOcc 0
83 mol 224 unq 1 iso 0 dist 6.57273 8.95269 4.70378 6.87664 7.12232 7.98696 7.05804 8.79428 13.2325 10.8888 numMergedOcc 0
84 mol 224 unq 2 iso 0 dist 6.57273 5.78342 8.49799 6.87664 7.12232 5.3621 7.05804 8.79428 6.8692 10.8888 numMergedOcc 0
85 mol 224 unq 3 iso 0 dist 5.78342 8.95269 11.5372 6.87664 5.3621 7.98696 7.05804 6.8692 13.2325 10.8888 numMergedOcc 0
86 mol 224 unq 4 iso 0 dist 5.78342 6.57273 8.49799 6.87664 5.3621 7.12232 7.05804 6.8692 8.79428 10.8888 numMergedOcc 0
87 mol 248 unq 0 iso 0 dist 7.69895 7.21521 5.55137 6.07192 6.48757 5.51827 4.58289 9.05018 9.33962 5.0345 numMergedOcc 0
88 mol 248 unq 1 iso 0 dist 7.69895 8.2965 10.8081 6.07192 6.48757 9.29921 4.58289 9.05018 11.4547 5.0345 numMergedOcc 0
89 mol 259 unq 0 iso 0 dist 7.88519 7.84554 4.86771 7.48005 11.6195 11.8736 11.6988 9.46361 12.8903 9.43105 numMergedOcc 0
90 mol 259 unq 1 iso 0 dist 7.88519 7.46176 6.96053 7.48005 11.6195 5.79468 11.6988 9.46361 6.95511 9.43105 numMergedOcc 0
91 mol 259 unq 2 iso 0 dist 7.88519 9.18903 10.4881 7.48005 11.6195 12.6649 11.6988 9.46361 17.104 9.43105 numMergedOcc 0
92 mol 259 unq 3 iso 0 dist 7.46176 7.88519 6.96053 7.48005 5.79468 11.6195 10.067 5.85442 10.3406 6.23661 numMergedOcc 0
93 mol 259 unq 4 iso 0 dist 7.46176 7.88519 6.96053 7.48005 5.79468 11.6195 11.6988 6.95511 9.46361 9.43105 numMergedOcc 0
94 mol 259 unq 5 iso 0 dist 7.46176 7.84554 7.64658 7.48005 5.79468 11.8736 10.067 5.85442 12.8546 6.23661 numMergedOcc 0
95 mol 259 unq 6 iso 0 dist 7.46176 7.84554 7.64658 7.48005 5.79468 11.8736 11.6988 6.95511 12.8903 9.43105 numMergedOcc 0
96 mol 259 unq 7 iso 0 dist 7.46176 9.18903 10.5239 7.48005 5.79468 12.6649 10.067 5.85442 16.0301 6.23661 numMergedOcc 0
97 mol 259 unq 8 iso 0 dist 7.46176 9.18903 10.5239 7.48005 5.79468 12.6649 11.6988 6.95511 17.104 9.43105 numMergedOcc 0
