0 mol 43 unq 0 iso 0 dist 6.20293 5.73819 5.06502 8.93915 6.45462 5.89973 8.13395 8.80331 10.5523 14.7803 6.75943 5.41726 4.96926 10.0383 6.6263 numMergedOcc 0
1 mol 43 unq 0 iso 1 dist 6.20293 8.93915 6.45462 5.73819 5.06502 5.89973 8.13395 8.80331 14.7803 10.5523 6.75943 5.41726 10.0383 4.96926 6.6263 numMergedOcc 0
2 mol 58 unq 0 iso 0 dist 9.55426 6.81627 9.7274 7.32874 5.90225 5.47421 10.6169 9.4099 15.2973 11.396 15.6595 8.55984 18.0072 14.0406 9.08221 numMergedOcc 0
3 mol 58 unq 0 iso 1 dist 9.55426 7.32874 5.90225 6.81627 9.7274 5.47421 10.6169 9.4099 11.396 15.2973 15.6595 8.55984 14.0406 18.0072 9.08221 numMergedOcc 0
4 mol 60 unq 0 iso 0 dist 6.65595 9.25011 4.73512 6.43294 10.6819 11.3621 6.54743 8.90863 10.0828 11.5843 12.544 8.27828 5.96376 16.1296 9.95132 numMergedOcc 0
5 mol 60 unq 0 iso 1 dist 6.65595 6.43294 10.6819 9.25011 4.73512 11.3621 6.54743 8.90863 11.5843 10.0828 12.544 8.27828 16.1296 5.96376 9.95132 numMergedOcc 0
6 mol 60 unq 1 iso 0 dist 6.65595 9.25011 4.73512 6.43294 10.6819 11.3621 6.54743 8.90863 10.0828 11.5843 7.57295 7.80499 5.6397 8.62476 7.48086 numMergedOcc 0
7 mol 60 unq 1 iso 1 dist 6.65595 6.43294 10.6819 9.25011 4.73512 11.3621 6.54743 8.90863 11.5843 10.0828 7.57295 7.80499 8.62476 5.6397 7.48086 numMergedOcc 0
8 mol 60 unq 2 iso 0 dist 6.65595 9.25011 4.73512 8.52121 8.93946 7.66664 6.54743 8.90863 10.0828 12.4757 12.544 8.27828 5.96376 13.1523 9.95132 numMergedOcc 0
9 mol 60 unq 2 iso 1 dist 6.65595 8.52121 8.93946 9.25011 4.73512 7.66664 6.54743 8.90863 12.4757 10.0828 12.544 8.27828 13.1523 5.96376 9.95132 numMergedOcc 0
10 mol 60 unq 3 iso 0 dist 6.65595 9.25011 4.73512 8.52121 8.93946 7.66664 6.54743 8.90863 10.0828 12.4757 7.57295 7.80499 5.6397 6.55502 7.48086 numMergedOcc 0
11 mol 60 unq 3 iso 1 dist 6.65595 8.52121 8.93946 9.25011 4.73512 7.66664 6.54743 8.90863 12.4757 10.0828 7.57295 7.80499 6.55502 5.6397 7.48086 numMergedOcc 0
12 mol 60 unq 2 iso 0 dist 6.65595 6.43294 10.6819 8.52121 8.93946 5.51199 6.54743 8.90863 11.5843 12.4757 12.544 8.27828 16.1296 13.1523 9.95132 numMergedOcc 0
13 mol 60 unq 2 iso 1 dist 6.65595 8.52121 8.93946 6.43294 10.6819 5.51199 6.54743 8.90863 12.4757 11.5843 12.544 8.27828 13.1523 16.1296 9.95132 numMergedOcc 0
14 mol 60 unq 3 iso 0 dist 6.65595 6.43294 10.6819 8.52121 8.93946 5.51199 6.54743 8.90863 11.5843 12.4757 7.57295 7.80499 8.62476 6.55502 7.48086 numMergedOcc 0
15 mol 60 unq 3 iso 1 dist 6.65595 8.52121 8.93946 6.43294 10.6819 5.51199 6.54743 8.90863 12.4757 11.5843 7.57295 7.80499 6.55502 8.62476 7.48086 numMergedOcc 0
16 mol 60 unq 4 iso 0 dist 6.43294 6.65595 10.6819 9.25011 11.3621 4.73512 5.67502 8.7531 11.1899 12.4656 7.57295 8.62476 7.80499 5.6397 8.4312 numMergedOcc 0
17 mol 60 unq 4 iso 1 dist 6.43294 9.25011 11.3621 6.65595 10.6819 4.73512 5.67502 8.7531 12.4656 11.1899 7.57295 8.62476 5.6397 7.80499 8.4312 numMergedOcc 0
18 mol 60 unq 5 iso 0 dist 6.43294 6.65595 10.6819 8.52121 5.51199 8.93946 5.67502 8.7531 11.1899 11.6311 7.57295 8.62476 7.80499 6.55502 8.4312 numMergedOcc 0
19 mol 60 unq 5 iso 1 dist 6.43294 8.52121 5.51199 6.65595 10.6819 8.93946 5.67502 8.7531 11.6311 11.1899 7.57295 8.62476 6.55502 7.80499 8.4312 numMergedOcc 0
20 mol 60 unq 5 iso 0 dist 6.43294 9.25011 11.3621 8.52121 5.51199 7.66664 5.67502 8.7531 12.4656 11.6311 7.57295 8.62476 5.6397 6.55502 8.4312 numMergedOcc 0
21 mol 60 unq 5 iso 1 dist 6.43294 8.52121 5.51199 9.25011 11.3621 7.66664 5.67502 8.7531 11.6311 12.4656 7.57295 8.62476 6.55502 5.6397 8.4312 numMergedOcc 0
22 mol 73 unq 0 iso 0 dist 9.96396 9.38498 15.7123 9.75218 12.016 13.7412 5.4148 6.19304 10.2049 11.6369 12.2276 6.20232 18.7673 17.2422 8.68662 numMergedOcc 0
23 mol 73 unq 0 iso 1 dist 9.96396 9.75218 12.016 9.38498 15.7123 13.7412 5.4148 6.19304 11.6369 10.2049 12.2276 6.20232 17.2422 18.7673 8.68662 numMergedOcc 0
24 mol 73 unq 1 iso 0 dist 9.96396 9.38498 15.7123 9.75218 12.016 13.7412 5.4148 6.19304 10.2049 11.6369 9.73086 5.70116 17.4121 14.844 7.4369 numMergedOcc 0
25 mol 73 unq 1 iso 1 dist 9.96396 9.75218 12.016 9.38498 15.7123 13.7412 5.4148 6.19304 11.6369 10.2049 9.73086 5.70116 14.844 17.4121 7.4369 numMergedOcc 0
26 mol 73 unq 2 iso 0 dist 9.96396 9.38498 15.7123 9.75218 12.016 13.7412 14.9342 8.70481 20.257 10.1207 13.3207 11.2069 19.0013 6.19168 5.5087 numMergedOcc 0
27 mol 73 unq 2 iso 1 dist 9.96396 9.75218 12.016 9.38498 15.7123 13.7412 14.9342 8.70481 10.1207 20.257 13.3207 11.2069 6.19168 19.0013 5.5087 numMergedOcc 0
28 mol 73 unq 3 iso 0 dist 9.96396 9.38498 15.7123 9.75218 12.016 13.7412 14.9342 8.70481 20.257 10.1207 14.498 10.6713 21.9204 10.532 6.08682 numMergedOcc 0
29 mol 73 unq 3 iso 1 dist 9.96396 9.75218 12.016 9.38498 15.7123 13.7412 14.9342 8.70481 10.1207 20.257 14.498 10.6713 10.532 21.9204 6.08682 numMergedOcc 0
30 mol 100 unq 0 iso 0 dist 7.47343 6.45675 5.33144 8.86688 10.1407 9.71151 8.8807 6.65086 10.1409 14.9102 9.76432 6.23008 5.16579 14.4607 8.91882 numMergedOcc 0
31 mol 100 unq 0 iso 1 dist 7.47343 8.86688 10.1407 6.45675 5.33144 9.71151 8.8807 6.65086 14.9102 10.1409 9.76432 6.23008 14.4607 5.16579 8.91882 numMergedOcc 0
32 mol 115 unq 0 iso 0 dist 5.83991 7.30858 10.8507 7.88312 8.02349 11.5723 7.69052 9.33865 13.8473 6.11741 9.42082 6.63111 15.3161 6.07067 6.39384 numMergedOcc 0
33 mol 115 unq 0 iso 1 dist 5.83991 7.88312 8.02349 7.30858 10.8507 11.5723 7.69052 9.33865 6.11741 13.8473 9.42082 6.63111 6.07067 15.3161 6.39384 numMergedOcc 0
34 mol 115 unq 1 iso 0 dist 7.88312 7.30858 11.5723 5.83991 8.02349 10.8507 7.69052 6.11741 13.8473 9.33865 9.42082 6.07067 15.3161 6.63111 6.39384 numMergedOcc 0
35 mol 115 unq 1 iso 1 dist 7.88312 5.83991 8.02349 7.30858 11.5723 10.8507 7.69052 6.11741 9.33865 13.8473 9.42082 6.07067 6.63111 15.3161 6.39384 numMergedOcc 0
36 mol 133 unq 0 iso 0 dist 7.24514 9.91388 6.761 9.52634 7.6656 6.69554 6.65743 8.22656 10.0372 13.4163 10.4642 6.9945 11.8451 14.6139 7.22643 numMergedOcc 0
37 mol 133 unq 0 iso 1 dist 7.24514 9.52634 7.6656 9.91388 6.761 6.69554 6.65743 8.22656 13.4163 10.0372 10.4642 6.9945 14.6139 11.8451 7.22643 numMergedOcc 0
38 mol 134 unq 0 iso 0 dist 8.94367 6.37586 5.49782 6.49416 8.80819 5.00817 6.81259 9.86662 9.71307 12.5075 11.0808 12.8086 15.0225 15.9138 9.1998 numMergedOcc 0
39 mol 134 unq 0 iso 1 dist 8.94367 6.49416 8.80819 6.37586 5.49782 5.00817 6.81259 9.86662 12.5075 9.71307 11.0808 12.8086 15.9138 15.0225 9.1998 numMergedOcc 0
40 mol 134 unq 1 iso 0 dist 8.94367 6.37586 5.49782 6.49416 8.80819 5.00817 6.81259 9.86662 9.71307 12.5075 9.33094 7.41373 10.8635 12.3479 8.69531 numMergedOcc 0
41 mol 134 unq 1 iso 1 dist 8.94367 6.49416 8.80819 6.37586 5.49782 5.00817 6.81259 9.86662 12.5075 9.71307 9.33094 7.41373 12.3479 10.8635 8.69531 numMergedOcc 0
42 mol 134 unq 2 iso 0 dist 6.37586 8.94367 5.49782 6.49416 5.00817 8.80819 6.81259 9.71307 9.86662 12.5075 11.0808 15.0225 12.8086 15.9138 9.1998 numMergedOcc 0
43 mol 134 unq 2 iso 1 dist 6.37586 6.49416 5.00817 8.94367 5.49782 8.80819 6.81259 9.71307 12.5075 9.86662 11.0808 15.0225 15.9138 12.8086 9.1998 numMergedOcc 0
44 mol 134 unq 3 iso 0 dist 6.37586 8.94367 5.49782 6.49416 5.00817 8.80819 6.81259 9.71307 9.86662 12.5075 9.33094 10.8635 7.41373 12.3479 8.69531 numMergedOcc 0
45 mol 134 unq 3 iso 1 dist 6.37586 6.49416 5.00817 8.94367 5.49782 8.80819 6.81259 9.71307 12.5075 9.86662 9.33094 10.8635 12.3479 7.41373 8.69531 numMergedOcc 0
46 mol 142 unq 0 iso 0 dist 9.2313 7.73169 5.50998 8.96657 11.1395 5.92693 5.32922 5.31024 7.26382 11.0824 7.81207 4.67662 5.81599 11.1 6.14151 numMergedOcc 0
47 mol 142 unq 0 iso 1 dist 9.2313 8.96657 11.1395 7.73169 5.50998 5.92693 5.32922 5.31024 11.0824 7.26382 7.81207 4.67662 11.1 5.81599 6.14151 numMergedOcc 0
48 mol 142 unq 1 iso 0 dist 7.73169 9.2313 5.50998 8.96657 5.92693 11.1395 5.32922 7.26382 5.31024 11.0824 7.81207 5.81599 4.67662 11.1 6.14151 numMergedOcc 0
49 mol 142 unq 1 iso 1 dist 7.73169 8.96657 5.92693 9.2313 5.50998 11.1395 5.32922 7.26382 11.0824 5.31024 7.81207 5.81599 11.1 4.67662 6.14151 numMergedOcc 0
50 mol 152 unq 0 iso 0 dist 8.87437 7.16148 5.42328 8.05741 5.54906 6.4896 5.49936 5.87555 6.70283 8.67331 10.4895 4.94983 5.39112 9.67475 6.70693 numMergedOcc 0
51 mol 152 unq 0 iso 1 dist 8.87437 8.05741 5.54906 7.16148 5.42328 6.4896 5.49936 5.87555 8.67331 6.70283 10.4895 4.94983 9.67475 5.39112 6.70693 numMergedOcc 0
52 mol 152 unq 1 iso 0 dist 6.70283 5.87555 5.42328 8.67331 6.4896 5.54906 7.65448 8.56324 10.399 14.1618 6.70693 5.39112 4.94983 9.67475 6.59889 numMergedOcc 0
53 mol 152 unq 1 iso 1 dist 6.70283 8.67331 6.4896 5.87555 5.42328 5.54906 7.65448 8.56324 14.1618 10.399 6.70693 5.39112 9.67475 4.94983 6.59889 numMergedOcc 0
54 mol 152 unq 2 iso 0 dist 6.70283 5.87555 5.42328 8.67331 6.4896 5.54906 7.65448 8.56324 10.399 14.1618 9.27706 4.84714 5.97582 9.20746 8.9192 numMergedOcc 0
55 mol 152 unq 2 iso 1 dist 6.70283 8.67331 6.4896 5.87555 5.42328 5.54906 7.65448 8.56324 14.1618 10.399 9.27706 4.84714 9.20746 5.97582 8.9192 numMergedOcc 0
56 mol 152 unq 3 iso 0 dist 7.16148 8.87437 5.42328 8.05741 6.4896 5.54906 10.6875 8.56324 10.399 14.1618 10.4895 5.39112 4.94983 9.67475 6.59889 numMergedOcc 0
57 mol 152 unq 3 iso 1 dist 7.16148 8.05741 6.4896 8.87437 5.42328 5.54906 10.6875 8.56324 14.1618 10.399 10.4895 5.39112 9.67475 4.94983 6.59889 numMergedOcc 0
58 mol 152 unq 4 iso 0 dist 7.16148 8.87437 5.42328 8.05741 6.4896 5.54906 10.6875 8.56324 10.399 14.1618 11.6735 4.84714 5.97582 9.20746 8.9192 numMergedOcc 0
59 mol 152 unq 4 iso 1 dist 7.16148 8.05741 6.4896 8.87437 5.42328 5.54906 10.6875 8.56324 14.1618 10.399 11.6735 4.84714 9.20746 5.97582 8.9192 numMergedOcc 0
60 mol 152 unq 5 iso 0 dist 7.16148 8.87437 5.42328 8.05741 6.4896 5.54906 5.49936 6.70283 5.87555 8.67331 10.4895 5.39112 4.94983 9.67475 6.70693 numMergedOcc 0
61 mol 152 unq 5 iso 1 dist 7.16148 8.05741 6.4896 8.87437 5.42328 5.54906 5.49936 6.70283 8.67331 5.87555 10.4895 5.39112 9.67475 4.94983 6.70693 numMergedOcc 0
62 mol 152 unq 6 iso 0 dist 8.05741 8.87437 5.54906 7.16148 6.4896 5.42328 5.49936 8.67331 5.87555 6.70283 10.4895 9.67475 4.94983 5.39112 6.70693 numMergedOcc 0
63 mol 152 unq 6 iso 1 dist 8.05741 7.16148 6.4896 8.87437 5.54906 5.42328 5.49936 8.67331 6.70283 5.87555 10.4895 9.67475 5.39112 4.94983 6.70693 numMergedOcc 0
64 mol 224 unq 0 iso 0 dist 5.78342 9.16166 5.0744 5.81334 5.60236 6.91102 8.49799 6.57273 6.60589 10.5128 6.8692 7.05804 5.76843 4.54188 8.79428 numMergedOcc 0
65 mol 224 unq 0 iso 1 dist 5.78342 5.81334 5.60236 9.16166 5.0744 6.91102 8.49799 6.57273 10.5128 6.60589 6.8692 7.05804 4.54188 5.76843 8.79428 numMergedOcc 0
66 mol 224 unq 1 iso 0 dist 9.16166 5.78342 5.0744 5.81334 6.91102 5.60236 11.328 6.65832 10.103 10.9745 6.8692 5.76843 7.05804 4.54188 6.99769 numMergedOcc 0
67 mol 224 unq 1 iso 1 dist 9.16166 5.81334 6.91102 5.78342 5.0744 5.60236 11.328 6.65832 10.9745 10.103 6.8692 5.76843 4.54188 7.05804 6.99769 numMergedOcc 0
68 mol 224 unq 2 iso 0 dist 9.16166 5.78342 5.0744 5.81334 6.91102 5.60236 8.49799 6.60589 6.57273 10.5128 6.8692 5.76843 7.05804 4.54188 8.79428 numMergedOcc 0
69 mol 224 unq 2 iso 1 dist 9.16166 5.81334 6.91102 5.78342 5.0744 5.60236 8.49799 6.60589 10.5128 6.57273 6.8692 5.76843 4.54188 7.05804 8.79428 numMergedOcc 0
70 mol 234 unq 0 iso 0 dist 6.56247 8.34494 6.29886 9.36357 7.82322 12.1694 5.88703 9.45496 12.9605 6.7625 11.6391 12.4252 14.898 5.75498 7.81215 numMergedOcc 0
71 mol 234 unq 0 iso 1 dist 6.56247 9.36357 7.82322 8.34494 6.29886 12.1694 5.88703 9.45496 6.7625 12.9605 11.6391 12.4252 5.75498 14.898 7.81215 numMergedOcc 0
72 mol 234 unq 1 iso 0 dist 9.36357 8.34494 12.1694 6.56247 7.82322 6.29886 5.88703 6.7625 12.9605 9.45496 11.6391 5.75498 14.898 12.4252 7.81215 numMergedOcc 0
73 mol 234 unq 1 iso 1 dist 9.36357 6.56247 7.82322 8.34494 12.1694 6.29886 5.88703 6.7625 9.45496 12.9605 11.6391 5.75498 12.4252 14.898 7.81215 numMergedOcc 0
74 mol 236 unq 0 iso 0 dist 8.03456 6.84306 5.79505 9.99038 9.90963 11.3368 7.28249 9.81562 7.68742 6.27581 10.1317 4.27181 4.89609 10.5774 9.3206 numMergedOcc 0
75 mol 236 unq 0 iso 1 dist 8.03456 9.99038 9.90963 6.84306 5.79505 11.3368 7.28249 9.81562 6.27581 7.68742 10.1317 4.27181 10.5774 4.89609 9.3206 numMergedOcc 0
76 mol 236 unq 1 iso 0 dist 8.03456 6.84306 5.79505 9.78037 6.96005 11.8739 7.28249 9.81562 7.68742 13.499 10.1317 4.27181 4.89609 11.0923 9.3206 numMergedOcc 0
77 mol 236 unq 1 iso 1 dist 8.03456 9.78037 6.96005 6.84306 5.79505 11.8739 7.28249 9.81562 13.499 7.68742 10.1317 4.27181 11.0923 4.89609 9.3206 numMergedOcc 0
78 mol 236 unq 2 iso 0 dist 8.03456 6.84306 5.79505 8.35971 14.2337 14.7998 7.28249 9.81562 7.68742 11.2141 10.1317 4.27181 4.89609 16.9105 9.3206 numMergedOcc 0
79 mol 236 unq 2 iso 1 dist 8.03456 8.35971 14.2337 6.84306 5.79505 14.7998 7.28249 9.81562 11.2141 7.68742 10.1317 4.27181 16.9105 4.89609 9.3206 numMergedOcc 0
80 mol 236 unq 1 iso 0 dist 8.03456 9.99038 9.90963 9.78037 6.96005 11.1557 7.28249 9.81562 6.27581 13.499 10.1317 4.27181 10.5774 11.0923 9.3206 numMergedOcc 0
81 mol 236 unq 1 iso 1 dist 8.03456 9.78037 6.96005 9.99038 9.90963 11.1557 7.28249 9.81562 13.499 6.27581 10.1317 4.27181 11.0923 10.5774 9.3206 numMergedOcc 0
82 mol 236 unq 2 iso 0 dist 8.03456 9.99038 9.90963 8.35971 14.2337 10.7497 7.28249 9.81562 6.27581 11.2141 10.1317 4.27181 10.5774 16.9105 9.3206 numMergedOcc 0
83 mol 236 unq 2 iso 1 dist 8.03456 8.35971 14.2337 9.99038 9.90963 10.7497 7.28249 9.81562 11.2141 6.27581 10.1317 4.27181 16.9105 10.5774 9.3206 numMergedOcc 0
84 mol 236 unq 2 iso 0 dist 8.03456 9.78037 6.96005 8.35971 14.2337 12.0369 7.28249 9.81562 13.499 11.2141 10.1317 4.27181 11.0923 16.9105 9.3206 numMergedOcc 0
85 mol 236 unq 2 iso 1 dist 8.03456 8.35971 14.2337 9.78037 6.96005 12.0369 7.28249 9.81562 11.2141 13.499 10.1317 4.27181 16.9105 11.0923 9.3206 numMergedOcc 0
86 mol 236 unq 3 iso 0 dist 6.84306 8.03456 5.79505 9.99038 11.3368 9.90963 7.28249 7.68742 9.81562 6.27581 10.1317 4.89609 4.27181 10.5774 9.3206 numMergedOcc 0
87 mol 236 unq 3 iso 1 dist 6.84306 9.99038 11.3368 8.03456 5.79505 9.90963 7.28249 7.68742 6.27581 9.81562 10.1317 4.89609 10.5774 4.27181 9.3206 numMergedOcc 0
88 mol 236 unq 4 iso 0 dist 6.84306 8.03456 5.79505 9.78037 11.8739 6.96005 7.28249 7.68742 9.81562 13.499 10.1317 4.89609 4.27181 11.0923 9.3206 numMergedOcc 0
89 mol 236 unq 4 iso 1 dist 6.84306 9.78037 11.8739 8.03456 5.79505 6.96005 7.28249 7.68742 13.499 9.81562 10.1317 4.89609 11.0923 4.27181 9.3206 numMergedOcc 0
90 mol 236 unq 5 iso 0 dist 6.84306 8.03456 5.79505 8.35971 14.7998 14.2337 7.28249 7.68742 9.81562 11.2141 10.1317 4.89609 4.27181 16.9105 9.3206 numMergedOcc 0
91 mol 236 unq 5 iso 1 dist 6.84306 8.35971 14.7998 8.03456 5.79505 14.2337 7.28249 7.68742 11.2141 9.81562 10.1317 4.89609 16.9105 4.27181 9.3206 numMergedOcc 0
92 mol 236 unq 4 iso 0 dist 6.84306 9.99038 11.3368 9.78037 11.8739 11.1557 7.28249 7.68742 6.27581 13.499 10.1317 4.89609 10.5774 11.0923 9.3206 numMergedOcc 0
93 mol 236 unq 4 iso 1 dist 6.84306 9.78037 11.8739 9.99038 11.3368 11.1557 7.28249 7.68742 13.499 6.27581 10.1317 4.89609 11.0923 10.5774 9.3206 numMergedOcc 0
94 mol 236 unq 5 iso 0 dist 6.84306 9.99038 11.3368 8.35971 14.7998 10.7497 7.28249 7.68742 6.27581 11.2141 10.1317 4.89609 10.5774 16.9105 9.3206 numMergedOcc 0
95 mol 236 unq 5 iso 1 dist 6.84306 8.35971 14.7998 9.99038 11.3368 10.7497 7.28249 7.68742 11.2141 6.27581 10.1317 4.89609 16.9105 10.5774 9.3206 numMergedOcc 0
96 mol 236 unq 5 iso 0 dist 6.84306 9.78037 11.8739 8.35971 14.7998 12.0369 7.28249 7.68742 13.499 11.2141 10.1317 4.89609 11.0923 16.9105 9.3206 numMergedOcc 0
97 mol 236 unq 5 iso 1 dist 6.84306 8.35971 14.7998 9.78037 11.8739 12.0369 7.28249 7.68742 11.2141 13.499 10.1317 4.89609 16.9105 11.0923 9.3206 numMergedOcc 0
98 mol 236 unq 6 iso 0 dist 9.99038 8.03456 9.90963 6.84306 11.3368 5.79505 7.28249 6.27581 9.81562 7.68742 10.1317 10.5774 4.27181 4.89609 9.3206 numMergedOcc 0
99 mol 236 unq 6 iso 1 dist 9.99038 6.84306 11.3368 8.03456 9.90963 5.79505 7.28249 6.27581 7.68742 9.81562 10.1317 10.5774 4.89609 4.27181 9.3206 numMergedOcc 0
100 mol 236 unq 7 iso 0 dist 9.99038 8.03456 9.90963 9.78037 11.1557 6.96005 7.28249 6.27581 9.81562 13.499 10.1317 10.5774 4.27181 11.0923 9.3206 numMergedOcc 0
101 mol 236 unq 7 iso 1 dist 9.99038 9.78037 11.1557 8.03456 9.90963 6.96005 7.28249 6.27581 13.499 9.81562 10.1317 10.5774 11.0923 4.27181 9.3206 numMergedOcc 0
102 mol 236 unq 8 iso 0 dist 9.99038 8.03456 9.90963 8.35971 10.7497 14.2337 7.28249 6.27581 9.81562 11.2141 10.1317 10.5774 4.27181 16.9105 9.3206 numMergedOcc 0
103 mol 236 unq 8 iso 1 dist 9.99038 8.35971 10.7497 8.03456 9.90963 14.2337 7.28249 6.27581 11.2141 9.81562 10.1317 10.5774 16.9105 4.27181 9.3206 numMergedOcc 0
104 mol 236 unq 7 iso 0 dist 9.99038 6.84306 11.3368 9.78037 11.1557 11.8739 7.28249 6.27581 7.68742 13.499 10.1317 10.5774 4.89609 11.0923 9.3206 numMergedOcc 0
105 mol 236 unq 7 iso 1 dist 9.99038 9.78037 11.1557 6.84306 11.3368 11.8739 7.28249 6.27581 13.499 7.68742 10.1317 10.5774 11.0923 4.89609 9.3206 numMergedOcc 0
106 mol 236 unq 8 iso 0 dist 9.99038 6.84306 11.3368 8.35971 10.7497 14.7998 7.28249 6.27581 7.68742 11.2141 10.1317 10.5774 4.89609 16.9105 9.3206 numMergedOcc 0
107 mol 236 unq 8 iso 1 dist 9.99038 8.35971 10.7497 6.84306 11.3368 14.7998 7.28249 6.27581 11.2141 7.68742 10.1317 10.5774 16.9105 4.89609 9.3206 numMergedOcc 0
108 mol 236 unq 8 iso 0 dist 9.99038 9.78037 11.1557 8.35971 10.7497 12.0369 7.28249 6.27581 13.499 11.2141 10.1317 10.5774 11.0923 16.9105 9.3206 numMergedOcc 0
109 mol 236 unq 8 iso 1 dist 9.99038 8.35971 10.7497 9.78037 11.1557 12.0369 7.28249 6.27581 11.2141 13.499 10.1317 10.5774 16.9105 11.0923 9.3206 numMergedOcc 0
110 mol 236 unq 9 iso 0 dist 8.35971 8.03456 14.2337 6.84306 14.7998 5.79505 7.43758 8.04248 15.1853 13.5269 11.5798 4.66414 17.777 18.3836 8.23087 numMergedOcc 0
111 mol 236 unq 9 iso 1 dist 8.35971 6.84306 14.7998 8.03456 14.2337 5.79505 7.43758 8.04248 13.5269 15.1853 11.5798 4.66414 18.3836 17.777 8.23087 numMergedOcc 0
112 mol 236 unq 10 iso 0 dist 8.35971 8.03456 14.2337 9.99038 10.7497 9.90963 7.43758 8.04248 15.1853 15.7308 11.5798 4.66414 17.777 15.3396 8.23087 numMergedOcc 0
113 mol 236 unq 10 iso 1 dist 8.35971 9.99038 10.7497 8.03456 14.2337 9.90963 7.43758 8.04248 15.7308 15.1853 11.5798 4.66414 15.3396 17.777 8.23087 numMergedOcc 0
114 mol 236 unq 11 iso 0 dist 8.35971 8.03456 14.2337 9.78037 12.0369 6.96005 7.43758 8.04248 15.1853 14.9122 11.5798 4.66414 17.777 14.5556 8.23087 numMergedOcc 0
115 mol 236 unq 11 iso 1 dist 8.35971 9.78037 12.0369 8.03456 14.2337 6.96005 7.43758 8.04248 14.9122 15.1853 11.5798 4.66414 14.5556 17.777 8.23087 numMergedOcc 0
116 mol 236 unq 10 iso 0 dist 8.35971 6.84306 14.7998 9.99038 10.7497 11.3368 7.43758 8.04248 13.5269 15.7308 11.5798 4.66414 18.3836 15.3396 8.23087 numMergedOcc 0
117 mol 236 unq 10 iso 1 dist 8.35971 9.99038 10.7497 6.84306 14.7998 11.3368 7.43758 8.04248 15.7308 13.5269 11.5798 4.66414 15.3396 18.3836 8.23087 numMergedOcc 0
118 mol 236 unq 11 iso 0 dist 8.35971 6.84306 14.7998 9.78037 12.0369 11.8739 7.43758 8.04248 13.5269 14.9122 11.5798 4.66414 18.3836 14.5556 8.23087 numMergedOcc 0
119 mol 236 unq 11 iso 1 dist 8.35971 9.78037 12.0369 6.84306 14.7998 11.8739 7.43758 8.04248 14.9122 13.5269 11.5798 4.66414 14.5556 18.3836 8.23087 numMergedOcc 0
120 mol 236 unq 11 iso 0 dist 8.35971 9.99038 10.7497 9.78037 12.0369 11.1557 7.43758 8.04248 15.7308 14.9122 11.5798 4.66414 15.3396 14.5556 8.23087 numMergedOcc 0
121 mol 236 unq 11 iso 1 dist 8.35971 9.78037 12.0369 9.99038 10.7497 11.1557 7.43758 8.04248 14.9122 15.7308 11.5798 4.66414 14.5556 15.3396 8.23087 numMergedOcc 0
122 mol 259 unq 0 iso 0 dist 7.88519 7.84554 4.86771 7.46176 6.96053 7.64658 4.69778 8.13497 9.95973 10.3935 7.66153 8.8603 5.8801 11.8896 9.07743 numMergedOcc 0
123 mol 259 unq 0 iso 1 dist 7.88519 7.46176 6.96053 7.84554 4.86771 7.64658 4.69778 8.13497 10.3935 9.95973 7.66153 8.8603 11.8896 5.8801 9.07743 numMergedOcc 0
124 mol 259 unq 1 iso 0 dist 7.88519 7.84554 4.86771 9.18903 10.4881 5.87173 4.69778 8.13497 9.95973 12.6839 7.66153 8.8603 5.8801 5.81576 9.07743 numMergedOcc 0
125 mol 259 unq 1 iso 1 dist 7.88519 9.18903 10.4881 7.84554 4.86771 5.87173 4.69778 8.13497 12.6839 9.95973 7.66153 8.8603 5.81576 5.8801 9.07743 numMergedOcc 0
126 mol 259 unq 1 iso 0 dist 7.88519 7.46176 6.96053 9.18903 10.4881 10.5239 4.69778 8.13497 10.3935 12.6839 7.66153 8.8603 11.8896 5.81576 9.07743 numMergedOcc 0
127 mol 259 unq 1 iso 1 dist 7.88519 9.18903 10.4881 7.46176 6.96053 10.5239 4.69778 8.13497 12.6839 10.3935 7.66153 8.8603 5.81576 11.8896 9.07743 numMergedOcc 0
