0 mol 43 unq 0 iso 0 dist 6.20293 8.80331 8.13395 9.83618 9.49077 10.4442 5.06502 5.73819 10.5523 13.5377 5.41726 6.75943 6.6263 13.07 4.96926 numMergedOcc 0
1 mol 43 unq 1 iso 0 dist 6.20293 8.80331 8.13395 9.83618 9.49077 10.4442 6.45462 8.93915 14.7803 13.7177 5.41726 6.75943 6.6263 13.07 10.0383 numMergedOcc 0
2 mol 58 unq 0 iso 0 dist 9.4099 9.55426 10.6169 9.73139 5.24906 13.1021 6.47414 6.64012 13.4544 6.46761 8.55984 9.08221 15.6595 10.1478 4.00553 numMergedOcc 0
3 mol 58 unq 1 iso 0 dist 9.4099 9.55426 10.6169 6.31428 5.11205 6.75888 6.47414 6.64012 13.4544 7.58407 8.55984 9.08221 15.6595 10.7327 4.00553 numMergedOcc 0
4 mol 72 unq 0 iso 0 dist 9.96708 8.8178 10.7394 6.77912 7.11552 12.0644 8.24309 9.78528 9.84449 11.9814 5.69391 9.55118 13.6019 5.4605 9.78221 numMergedOcc 0
5 mol 72 unq 1 iso 0 dist 9.96708 8.8178 10.7394 6.77912 7.11552 12.0644 8.24309 9.78528 9.84449 11.9814 13.4212 9.10345 18.0706 10.8476 11.6634 numMergedOcc 0
6 mol 72 unq 2 iso 0 dist 9.96708 9.78528 8.24309 7.321 9.0131 6.11922 10.7394 8.8178 9.84449 13.3133 7.47371 7.12321 6.21799 9.14817 4.27726 numMergedOcc 0
7 mol 85 unq 0 iso 0 dist 6.19965 7.97049 5.42586 9.47876 11.6116 7.98917 4.26409 7.95579 11.3023 13.6587 4.41789 7.7068 10.2413 10.7558 6.36397 numMergedOcc 0
8 mol 85 unq 1 iso 0 dist 6.19965 7.97049 5.42586 9.47876 11.6116 7.98917 6.9948 7.66905 7.47541 7.22293 4.41789 7.7068 10.2413 10.7558 5.59906 numMergedOcc 0
9 mol 85 unq 2 iso 0 dist 7.66905 7.47541 5.42586 7.22293 11.6116 7.98917 10.7229 7.95579 11.3023 13.6587 5.59906 7.7068 10.2413 10.7558 6.36397 numMergedOcc 0
10 mol 85 unq 3 iso 0 dist 7.66905 7.47541 5.42586 7.22293 11.6116 7.98917 6.9948 6.19965 7.97049 9.47876 5.59906 7.7068 10.2413 10.7558 4.41789 numMergedOcc 0
11 mol 85 unq 4 iso 0 dist 7.66905 5.73196 10.1164 7.22293 11.6116 6.47779 10.7229 7.95579 15.309 13.6587 5.59906 7.7068 11.2056 10.7558 6.36397 numMergedOcc 0
12 mol 85 unq 5 iso 0 dist 7.66905 5.73196 10.1164 7.22293 11.6116 6.47779 6.9948 6.19965 11.2656 9.47876 5.59906 7.7068 11.2056 10.7558 4.41789 numMergedOcc 0
13 mol 100 unq 0 iso 0 dist 9.60661 7.17106 11.5403 6.58204 10.9608 5.01145 5.88134 6.65086 10.5134 7.75343 4.03277 8.91882 10.5432 10.259 6.23008 numMergedOcc 0
14 mol 100 unq 1 iso 0 dist 9.60661 9.35224 7.80879 6.58204 10.9608 5.69137 5.88134 6.65086 6.56369 7.75343 4.03277 8.91882 11.5088 10.259 6.23008 numMergedOcc 0
15 mol 100 unq 2 iso 0 dist 7.47343 6.65086 8.8807 7.75343 15.209 10.9608 5.33144 6.45675 10.1409 11.8016 5.9143 7.82475 11.9928 11.3652 5.43561 numMergedOcc 0
16 mol 100 unq 3 iso 0 dist 7.47343 6.65086 8.8807 7.75343 15.209 10.9608 5.33144 6.45675 10.1409 11.8016 5.47563 5.35782 9.94341 12.1809 6.30222 numMergedOcc 0
17 mol 100 unq 4 iso 0 dist 7.47343 6.65086 8.8807 7.75343 15.209 10.9608 10.1407 8.86688 14.9102 15.6924 5.9143 7.82475 11.9928 11.3652 5.25234 numMergedOcc 0
18 mol 100 unq 5 iso 0 dist 7.47343 6.65086 8.8807 7.75343 15.209 10.9608 10.1407 8.86688 14.9102 15.6924 5.47563 5.35782 9.94341 12.1809 5.03232 numMergedOcc 0
19 mol 100 unq 6 iso 0 dist 7.47343 6.56369 12.6515 7.75343 15.209 5.69137 5.33144 6.45675 11.8665 11.8016 5.9143 7.82475 10.694 11.3652 5.43561 numMergedOcc 0
20 mol 100 unq 7 iso 0 dist 7.47343 6.56369 12.6515 7.75343 15.209 5.69137 5.33144 6.45675 11.8665 11.8016 5.47563 5.35782 9.82522 12.1809 6.30222 numMergedOcc 0
21 mol 100 unq 8 iso 0 dist 7.47343 6.56369 12.6515 7.75343 15.209 5.69137 10.1407 8.86688 13.6959 15.6924 5.9143 7.82475 10.694 11.3652 5.25234 numMergedOcc 0
22 mol 100 unq 9 iso 0 dist 7.47343 6.56369 12.6515 7.75343 15.209 5.69137 10.1407 8.86688 13.6959 15.6924 5.47563 5.35782 9.82522 12.1809 5.03232 numMergedOcc 0
23 mol 100 unq 10 iso 0 dist 7.47343 9.30209 13.887 7.75343 15.209 9.21622 5.33144 6.45675 13.912 11.8016 5.9143 7.82475 14.966 11.3652 5.43561 numMergedOcc 0
24 mol 100 unq 11 iso 0 dist 7.47343 9.30209 13.887 7.75343 15.209 9.21622 5.33144 6.45675 13.912 11.8016 5.47563 5.35782 13.4844 12.1809 6.30222 numMergedOcc 0
25 mol 100 unq 12 iso 0 dist 7.47343 9.30209 13.887 7.75343 15.209 9.21622 10.1407 8.86688 18.2109 15.6924 5.9143 7.82475 14.966 11.3652 5.25234 numMergedOcc 0
26 mol 100 unq 13 iso 0 dist 7.47343 9.30209 13.887 7.75343 15.209 9.21622 10.1407 8.86688 18.2109 15.6924 5.47563 5.35782 13.4844 12.1809 5.03232 numMergedOcc 0
27 mol 100 unq 14 iso 0 dist 6.65086 7.47343 8.8807 7.75343 10.9608 15.209 5.88134 9.60661 12.0662 6.58204 6.23008 8.91882 9.76432 10.259 4.03277 numMergedOcc 0
28 mol 100 unq 15 iso 0 dist 6.65086 6.56369 7.80879 7.75343 10.9608 5.69137 5.88134 9.60661 9.35224 6.58204 6.23008 8.91882 11.5088 10.259 4.03277 numMergedOcc 0
29 mol 100 unq 16 iso 0 dist 6.65086 9.30209 5.38414 7.75343 10.9608 9.21622 5.88134 9.60661 10.5853 6.58204 6.23008 8.91882 11.6812 10.259 4.03277 numMergedOcc 0
30 mol 115 unq 0 iso 0 dist 9.33865 6.11741 8.02349 9.66954 6.09023 4.61908 7.69052 5.83991 7.88312 8.66155 6.95773 6.24825 10.0255 10.8109 6.01673 numMergedOcc 0
31 mol 115 unq 1 iso 0 dist 9.33865 6.11741 8.02349 7.64585 10.2377 10.8939 7.69052 5.83991 7.88312 12.2309 6.95773 6.24825 10.0255 7.65255 6.01673 numMergedOcc 0
32 mol 115 unq 2 iso 0 dist 9.33865 5.83991 7.69052 7.76729 10.7942 10.9739 8.02349 6.11741 7.88312 12.9821 6.63111 6.39384 9.42082 8.0168 6.07067 numMergedOcc 0
33 mol 115 unq 3 iso 0 dist 5.83991 7.30858 10.8507 8.66155 6.09023 11.3902 7.69052 9.33865 13.8473 9.66954 6.01673 6.24825 13.22 10.8109 6.95773 numMergedOcc 0
34 mol 115 unq 4 iso 0 dist 5.83991 7.88312 8.02349 8.66155 6.09023 4.61908 7.69052 9.33865 6.11741 9.66954 6.01673 6.24825 10.0255 10.8109 6.95773 numMergedOcc 0
35 mol 115 unq 5 iso 0 dist 5.83991 9.33865 7.69052 7.76729 10.9739 10.7942 10.8507 7.30858 13.8473 17.6696 4.48636 7.69765 13.4105 10.1174 10.3209 numMergedOcc 0
36 mol 115 unq 6 iso 0 dist 5.83991 9.33865 7.69052 7.76729 10.9739 10.7942 10.8507 7.30858 13.8473 17.6696 6.63111 9.42082 6.39384 8.0168 15.3161 numMergedOcc 0
37 mol 115 unq 7 iso 0 dist 5.83991 9.33865 7.69052 7.76729 10.9739 10.7942 8.02349 7.88312 6.11741 12.9821 4.48636 7.69765 13.4105 10.1174 11.835 numMergedOcc 0
38 mol 115 unq 8 iso 0 dist 5.83991 9.33865 7.69052 7.76729 10.9739 10.7942 8.02349 7.88312 6.11741 12.9821 6.63111 9.42082 6.39384 8.0168 6.07067 numMergedOcc 0
39 mol 115 unq 9 iso 0 dist 6.11741 7.88312 7.69052 6.99777 10.8292 11.7126 8.02349 9.33865 5.83991 13.9977 6.07067 6.39384 9.42082 12.9982 6.63111 numMergedOcc 0
40 mol 115 unq 10 iso 0 dist 6.11741 7.88312 7.69052 9.14376 6.12943 4.62962 8.02349 9.33865 5.83991 9.65429 6.07067 6.39384 9.42082 10.7985 6.63111 numMergedOcc 0
41 mol 115 unq 11 iso 0 dist 7.88312 6.11741 7.69052 6.99777 11.7126 10.8292 11.5723 7.30858 13.8473 11.695 11.835 7.69765 13.4105 16.7897 10.3209 numMergedOcc 0
42 mol 115 unq 12 iso 0 dist 7.88312 6.11741 7.69052 6.99777 11.7126 10.8292 11.5723 7.30858 13.8473 11.695 6.07067 9.42082 6.39384 12.9982 15.3161 numMergedOcc 0
43 mol 115 unq 13 iso 0 dist 7.88312 6.11741 7.69052 6.99777 11.7126 10.8292 8.02349 5.83991 9.33865 13.9977 11.835 7.69765 13.4105 16.7897 4.48636 numMergedOcc 0
44 mol 115 unq 14 iso 0 dist 7.88312 6.11741 7.69052 6.99777 11.7126 10.8292 8.02349 5.83991 9.33865 13.9977 6.07067 9.42082 6.39384 12.9982 6.63111 numMergedOcc 0
45 mol 115 unq 15 iso 0 dist 7.88312 6.11741 7.69052 9.14376 4.62962 6.12943 11.5723 7.30858 13.8473 10.0603 11.835 7.69765 13.4105 12.0921 10.3209 numMergedOcc 0
46 mol 115 unq 16 iso 0 dist 7.88312 6.11741 7.69052 9.14376 4.62962 6.12943 11.5723 7.30858 13.8473 10.0603 6.07067 9.42082 6.39384 10.7985 15.3161 numMergedOcc 0
47 mol 115 unq 17 iso 0 dist 7.88312 6.11741 7.69052 9.14376 4.62962 6.12943 8.02349 5.83991 9.33865 9.65429 11.835 7.69765 13.4105 12.0921 4.48636 numMergedOcc 0
48 mol 115 unq 18 iso 0 dist 7.88312 6.11741 7.69052 9.14376 4.62962 6.12943 8.02349 5.83991 9.33865 9.65429 6.07067 9.42082 6.39384 10.7985 6.63111 numMergedOcc 0
49 mol 117 unq 0 iso 0 dist 7.90328 9.84395 13.1058 6.62561 4.91401 11.3679 7.22206 7.83136 16.5575 7.63616 7.20875 8.84018 16.804 9.94053 3.77029 numMergedOcc 0
50 mol 117 unq 1 iso 0 dist 7.90328 9.84395 13.1058 6.62561 4.91401 11.3679 9.3584 7.0603 17.163 10.6107 7.20875 8.84018 16.804 9.94053 5.21535 numMergedOcc 0
51 mol 133 unq 0 iso 0 dist 8.00618 7.11802 8.18495 7.92688 12.2037 4.68409 11.965 6.29155 13.268 17.2931 15.0115 8.77023 12.5855 16.243 13.0405 numMergedOcc 0
52 mol 133 unq 1 iso 0 dist 8.00618 7.11802 8.18495 7.92688 12.2037 4.68409 7.79672 6.80239 12.6651 15.1694 15.0115 8.77023 12.5855 16.243 13.7612 numMergedOcc 0
53 mol 134 unq 0 iso 0 dist 8.94367 9.86662 6.81259 8.79571 5.41704 6.17103 5.49782 6.37586 9.71307 5.42582 7.41373 9.33094 8.69531 11.7151 10.8635 numMergedOcc 0
54 mol 134 unq 1 iso 0 dist 8.94367 9.86662 6.81259 8.79571 5.41704 6.17103 8.80819 6.49416 12.5075 8.6355 7.41373 9.33094 8.69531 11.7151 12.3479 numMergedOcc 0
55 mol 134 unq 2 iso 0 dist 6.37586 9.71307 6.81259 5.42582 5.41704 6.17103 5.49782 8.94367 9.86662 8.79571 10.8635 9.33094 8.69531 11.7151 7.41373 numMergedOcc 0
56 mol 134 unq 3 iso 0 dist 6.37586 9.71307 6.81259 5.42582 5.41704 6.17103 5.00817 6.49416 12.5075 8.6355 10.8635 9.33094 8.69531 11.7151 12.3479 numMergedOcc 0
57 mol 134 unq 4 iso 0 dist 6.49416 6.54501 5.00526 8.6355 5.41704 10.1448 8.80819 8.94367 11.9139 8.79571 12.3479 9.33094 11.2896 11.7151 7.41373 numMergedOcc 0
58 mol 134 unq 5 iso 0 dist 6.49416 6.54501 5.00526 8.6355 5.41704 10.1448 5.00817 6.37586 9.5126 5.42582 12.3479 9.33094 11.2896 11.7151 10.8635 numMergedOcc 0
59 mol 134 unq 6 iso 0 dist 9.86662 8.94367 6.81259 8.79571 6.17103 5.41704 5.49782 9.71307 6.37586 5.42582 12.8086 9.1998 11.0808 14.0978 15.0225 numMergedOcc 0
60 mol 134 unq 7 iso 0 dist 9.86662 8.94367 6.81259 8.79571 6.17103 5.41704 5.49782 9.71307 6.37586 5.42582 7.41373 8.69531 9.33094 11.7151 10.8635 numMergedOcc 0
61 mol 134 unq 8 iso 0 dist 9.71307 6.37586 6.81259 5.42582 6.17103 5.41704 5.49782 9.86662 8.94367 8.79571 15.0225 9.1998 11.0808 14.0978 12.8086 numMergedOcc 0
62 mol 134 unq 9 iso 0 dist 9.71307 6.37586 6.81259 5.42582 6.17103 5.41704 5.49782 9.86662 8.94367 8.79571 10.8635 8.69531 9.33094 11.7151 7.41373 numMergedOcc 0
63 mol 152 unq 0 iso 0 dist 6.70283 8.56324 7.65448 9.13561 8.25411 5.99333 5.42328 5.87555 10.399 12.4808 5.39112 6.70693 6.59889 10.5081 4.94983 numMergedOcc 0
64 mol 152 unq 1 iso 0 dist 6.70283 8.56324 7.65448 9.13561 8.25411 5.99333 6.4896 8.67331 14.1618 14.1119 5.39112 6.70693 6.59889 10.5081 9.67475 numMergedOcc 0
65 mol 152 unq 2 iso 0 dist 6.70283 7.16148 5.49936 9.13561 8.25411 7.89109 5.42328 5.87555 8.87437 12.4808 5.39112 6.70693 10.4895 10.5081 4.94983 numMergedOcc 0
66 mol 152 unq 3 iso 0 dist 6.70283 7.16148 5.49936 9.13561 8.25411 7.89109 6.4896 8.67331 8.05741 14.1119 5.39112 6.70693 10.4895 10.5081 9.67475 numMergedOcc 0
67 mol 155 unq 0 iso 0 dist 7.46303 6.23493 5.71071 9.17284 6.3437 4.9093 7.66392 6.43582 10.2463 12.2465 9.16779 8.97626 12.9034 13.5963 4.91785 numMergedOcc 0
68 mol 181 unq 0 iso 0 dist 9.1374 5.98885 8.88798 6.94688 6.25083 5.86342 13.2049 8.03334 10.7062 12.1309 12.9532 9.76212 13.2783 14.5897 6.50233 numMergedOcc 0
69 mol 181 unq 1 iso 0 dist 9.1374 5.98885 8.88798 6.71012 4.77278 9.14057 13.2049 8.03334 10.7062 12.2058 12.9532 9.76212 13.2783 12.3788 6.50233 numMergedOcc 0
70 mol 181 unq 2 iso 0 dist 9.1374 9.15386 12.1628 6.94688 6.25083 6.80228 13.2049 8.03334 14.9794 12.1309 12.9532 9.76212 18.2853 14.5897 6.50233 numMergedOcc 0
71 mol 181 unq 3 iso 0 dist 9.1374 9.15386 12.1628 6.71012 4.77278 11.6919 13.2049 8.03334 14.9794 12.2058 12.9532 9.76212 18.2853 12.3788 6.50233 numMergedOcc 0
72 mol 224 unq 0 iso 0 dist 6.57273 8.95269 4.70378 6.87664 7.12232 7.98696 5.0744 6.60589 9.99123 10.8259 7.05804 8.79428 13.2325 10.8888 5.76843 numMergedOcc 0
73 mol 224 unq 1 iso 0 dist 6.57273 5.78342 8.49799 6.87664 7.12232 5.3621 5.0744 6.60589 9.16166 10.8259 7.05804 8.79428 6.8692 10.8888 5.76843 numMergedOcc 0
74 mol 224 unq 2 iso 0 dist 5.78342 8.95269 11.5372 6.87664 5.3621 7.98696 5.0744 9.16166 9.99123 10.8259 7.05804 6.8692 13.2325 10.8888 5.76843 numMergedOcc 0
75 mol 224 unq 3 iso 0 dist 5.78342 8.95269 11.5372 6.87664 5.3621 7.98696 5.60236 5.81334 14.0676 10.2775 7.05804 6.8692 13.2325 10.8888 4.54188 numMergedOcc 0
76 mol 224 unq 4 iso 0 dist 5.78342 6.57273 8.49799 6.87664 5.3621 7.12232 5.0744 9.16166 6.60589 10.8259 7.05804 6.8692 8.79428 10.8888 5.76843 numMergedOcc 0
77 mol 224 unq 5 iso 0 dist 5.78342 6.57273 8.49799 6.87664 5.3621 7.12232 5.60236 5.81334 10.5128 10.2775 7.05804 6.8692 8.79428 10.8888 4.54188 numMergedOcc 0
78 mol 259 unq 0 iso 0 dist 7.88519 7.84554 4.86771 7.48005 11.6195 11.8736 4.69778 8.13497 9.95973 10.9591 11.6988 9.46361 12.8903 9.43105 12.2293 numMergedOcc 0
79 mol 259 unq 1 iso 0 dist 7.88519 7.46176 6.96053 7.48005 11.6195 5.79468 4.69778 8.13497 10.3935 10.9591 11.6988 9.46361 6.95511 9.43105 12.2293 numMergedOcc 0
80 mol 259 unq 2 iso 0 dist 7.88519 9.18903 10.4881 7.48005 11.6195 12.6649 4.69778 8.13497 12.6839 10.9591 11.6988 9.46361 17.104 9.43105 12.2293 numMergedOcc 0
