0 mol 43 unq 0 iso 0 dist 6.20293 5.73819 5.06502 8.93915 6.45462 5.89973 6.75943 5.41726 4.96926 10.0383 9.49077 9.83618 13.5377 13.7177 13.07 numMergedOcc 0
1 mol 43 unq 0 iso 1 dist 6.20293 8.93915 6.45462 5.73819 5.06502 5.89973 6.75943 5.41726 10.0383 4.96926 9.49077 9.83618 13.7177 13.5377 13.07 numMergedOcc 0
2 mol 85 unq 0 iso 0 dist 6.19965 7.95579 4.26409 7.66905 6.9948 10.7229 7.7068 4.41789 6.36397 5.59906 11.6116 9.47876 13.6587 7.22293 10.7558 numMergedOcc 0
3 mol 85 unq 0 iso 1 dist 6.19965 7.66905 6.9948 7.95579 4.26409 10.7229 7.7068 4.41789 5.59906 6.36397 11.6116 9.47876 7.22293 13.6587 10.7558 numMergedOcc 0
4 mol 85 unq 1 iso 0 dist 7.66905 7.95579 10.7229 6.19965 6.9948 4.26409 7.7068 5.59906 6.36397 4.41789 11.6116 7.22293 13.6587 9.47876 10.7558 numMergedOcc 0
5 mol 85 unq 1 iso 1 dist 7.66905 6.19965 6.9948 7.95579 10.7229 4.26409 7.7068 5.59906 4.41789 6.36397 11.6116 7.22293 9.47876 13.6587 10.7558 numMergedOcc 0
6 mol 100 unq 0 iso 0 dist 7.47343 6.45675 5.33144 8.86688 10.1407 9.71151 7.82475 5.9143 5.43561 5.25234 15.209 7.75343 11.8016 15.6924 11.3652 numMergedOcc 0
7 mol 100 unq 0 iso 1 dist 7.47343 8.86688 10.1407 6.45675 5.33144 9.71151 7.82475 5.9143 5.25234 5.43561 15.209 7.75343 15.6924 11.8016 11.3652 numMergedOcc 0
8 mol 100 unq 1 iso 0 dist 7.47343 6.45675 5.33144 8.86688 10.1407 9.71151 5.35782 5.47563 6.30222 5.03232 15.209 7.75343 11.8016 15.6924 12.1809 numMergedOcc 0
9 mol 100 unq 1 iso 1 dist 7.47343 8.86688 10.1407 6.45675 5.33144 9.71151 5.35782 5.47563 5.03232 6.30222 15.209 7.75343 15.6924 11.8016 12.1809 numMergedOcc 0
10 mol 115 unq 0 iso 0 dist 5.83991 7.30858 10.8507 7.88312 8.02349 11.5723 7.69765 4.48636 10.3209 11.835 10.9739 7.76729 17.6696 12.9821 10.1174 numMergedOcc 0
11 mol 115 unq 0 iso 1 dist 5.83991 7.88312 8.02349 7.30858 10.8507 11.5723 7.69765 4.48636 11.835 10.3209 10.9739 7.76729 12.9821 17.6696 10.1174 numMergedOcc 0
12 mol 115 unq 1 iso 0 dist 5.83991 7.30858 10.8507 7.88312 8.02349 11.5723 9.42082 6.63111 15.3161 6.07067 10.9739 7.76729 17.6696 12.9821 8.0168 numMergedOcc 0
13 mol 115 unq 1 iso 1 dist 5.83991 7.88312 8.02349 7.30858 10.8507 11.5723 9.42082 6.63111 6.07067 15.3161 10.9739 7.76729 12.9821 17.6696 8.0168 numMergedOcc 0
14 mol 115 unq 2 iso 0 dist 7.88312 7.30858 11.5723 5.83991 8.02349 10.8507 7.69765 11.835 10.3209 4.48636 11.7126 6.99777 11.695 13.9977 16.7897 numMergedOcc 0
15 mol 115 unq 2 iso 1 dist 7.88312 5.83991 8.02349 7.30858 11.5723 10.8507 7.69765 11.835 4.48636 10.3209 11.7126 6.99777 13.9977 11.695 16.7897 numMergedOcc 0
16 mol 115 unq 3 iso 0 dist 7.88312 7.30858 11.5723 5.83991 8.02349 10.8507 7.69765 11.835 10.3209 4.48636 4.62962 9.14376 10.0603 9.65429 12.0921 numMergedOcc 0
17 mol 115 unq 3 iso 1 dist 7.88312 5.83991 8.02349 7.30858 11.5723 10.8507 7.69765 11.835 4.48636 10.3209 4.62962 9.14376 9.65429 10.0603 12.0921 numMergedOcc 0
18 mol 115 unq 4 iso 0 dist 7.88312 7.30858 11.5723 5.83991 8.02349 10.8507 9.42082 6.07067 15.3161 6.63111 11.7126 6.99777 11.695 13.9977 12.9982 numMergedOcc 0
19 mol 115 unq 4 iso 1 dist 7.88312 5.83991 8.02349 7.30858 11.5723 10.8507 9.42082 6.07067 6.63111 15.3161 11.7126 6.99777 13.9977 11.695 12.9982 numMergedOcc 0
20 mol 115 unq 5 iso 0 dist 7.88312 7.30858 11.5723 5.83991 8.02349 10.8507 9.42082 6.07067 15.3161 6.63111 4.62962 9.14376 10.0603 9.65429 10.7985 numMergedOcc 0
21 mol 115 unq 5 iso 1 dist 7.88312 5.83991 8.02349 7.30858 11.5723 10.8507 9.42082 6.07067 6.63111 15.3161 4.62962 9.14376 9.65429 10.0603 10.7985 numMergedOcc 0
22 mol 117 unq 0 iso 0 dist 7.90328 7.83136 7.22206 7.0603 9.3584 7.21564 8.84018 7.20875 3.77029 5.21535 4.91401 6.62561 7.63616 10.6107 9.94053 numMergedOcc 0
23 mol 117 unq 0 iso 1 dist 7.90328 7.0603 9.3584 7.83136 7.22206 7.21564 8.84018 7.20875 5.21535 3.77029 4.91401 6.62561 10.6107 7.63616 9.94053 numMergedOcc 0
24 mol 117 unq 1 iso 0 dist 7.83136 7.90328 7.22206 7.0603 7.21564 9.3584 8.84018 3.77029 7.20875 5.21535 4.91401 7.63616 6.62561 10.6107 9.94053 numMergedOcc 0
25 mol 117 unq 1 iso 1 dist 7.83136 7.0603 7.21564 7.90328 7.22206 9.3584 8.84018 3.77029 5.21535 7.20875 4.91401 7.63616 10.6107 6.62561 9.94053 numMergedOcc 0
26 mol 133 unq 0 iso 0 dist 8.00618 6.29155 11.965 6.80239 7.79672 7.81217 8.77023 15.0115 13.0405 13.7612 12.2037 7.92688 17.2931 15.1694 16.243 numMergedOcc 0
27 mol 133 unq 0 iso 1 dist 8.00618 6.80239 7.79672 6.29155 11.965 7.81217 8.77023 15.0115 13.7612 13.0405 12.2037 7.92688 15.1694 17.2931 16.243 numMergedOcc 0
28 mol 134 unq 0 iso 0 dist 8.94367 6.37586 5.49782 6.49416 8.80819 5.00817 9.33094 7.41373 10.8635 12.3479 5.41704 8.79571 5.42582 8.6355 11.7151 numMergedOcc 0
29 mol 134 unq 0 iso 1 dist 8.94367 6.49416 8.80819 6.37586 5.49782 5.00817 9.33094 7.41373 12.3479 10.8635 5.41704 8.79571 8.6355 5.42582 11.7151 numMergedOcc 0
30 mol 134 unq 1 iso 0 dist 6.37586 8.94367 5.49782 6.49416 5.00817 8.80819 9.33094 10.8635 7.41373 12.3479 5.41704 5.42582 8.79571 8.6355 11.7151 numMergedOcc 0
31 mol 134 unq 1 iso 1 dist 6.37586 6.49416 5.00817 8.94367 5.49782 8.80819 9.33094 10.8635 12.3479 7.41373 5.41704 5.42582 8.6355 8.79571 11.7151 numMergedOcc 0
32 mol 134 unq 2 iso 0 dist 6.49416 8.94367 8.80819 6.37586 5.00817 5.49782 9.33094 12.3479 7.41373 10.8635 5.41704 8.6355 8.79571 5.42582 11.7151 numMergedOcc 0
33 mol 134 unq 2 iso 1 dist 6.49416 6.37586 5.00817 8.94367 8.80819 5.49782 9.33094 12.3479 10.8635 7.41373 5.41704 8.6355 5.42582 8.79571 11.7151 numMergedOcc 0
34 mol 152 unq 0 iso 0 dist 6.70283 5.87555 5.42328 8.67331 6.4896 5.54906 6.70693 5.39112 4.94983 9.67475 8.25411 9.13561 12.4808 14.1119 10.5081 numMergedOcc 0
35 mol 152 unq 0 iso 1 dist 6.70283 8.67331 6.4896 5.87555 5.42328 5.54906 6.70693 5.39112 9.67475 4.94983 8.25411 9.13561 14.1119 12.4808 10.5081 numMergedOcc 0
36 mol 214 unq 0 iso 0 dist 8.85478 9.65138 4.40923 7.14453 11.3796 9.10746 7.46481 11.1534 11.4955 8.459 6.67959 7.46831 10.852 12.6888 8.70987 numMergedOcc 0
37 mol 214 unq 0 iso 1 dist 8.85478 7.14453 11.3796 9.65138 4.40923 9.10746 7.46481 11.1534 8.459 11.4955 6.67959 7.46831 12.6888 10.852 8.70987 numMergedOcc 0
38 mol 224 unq 0 iso 0 dist 5.78342 9.16166 5.0744 5.81334 5.60236 6.91102 6.8692 7.05804 5.76843 4.54188 5.3621 6.87664 10.8259 10.2775 10.8888 numMergedOcc 0
39 mol 224 unq 0 iso 1 dist 5.78342 5.81334 5.60236 9.16166 5.0744 6.91102 6.8692 7.05804 4.54188 5.76843 5.3621 6.87664 10.2775 10.8259 10.8888 numMergedOcc 0
