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 8.13395 8.80331 10.5523 14.7803 6.6263 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 8.13395 8.80331 14.7803 10.5523 6.6263 numMergedOcc 0
2 mol 60 unq 0 iso 0 dist 6.65595 9.25011 4.73512 6.43294 10.6819 11.3621 7.57295 7.80499 5.6397 8.62476 6.54743 8.90863 10.0828 11.5843 7.48086 numMergedOcc 0
3 mol 60 unq 0 iso 1 dist 6.65595 6.43294 10.6819 9.25011 4.73512 11.3621 7.57295 7.80499 8.62476 5.6397 6.54743 8.90863 11.5843 10.0828 7.48086 numMergedOcc 0
4 mol 60 unq 1 iso 0 dist 6.65595 9.25011 4.73512 8.52121 8.93946 7.66664 7.57295 7.80499 5.6397 6.55502 6.54743 8.90863 10.0828 12.4757 7.48086 numMergedOcc 0
5 mol 60 unq 1 iso 1 dist 6.65595 8.52121 8.93946 9.25011 4.73512 7.66664 7.57295 7.80499 6.55502 5.6397 6.54743 8.90863 12.4757 10.0828 7.48086 numMergedOcc 0
6 mol 60 unq 1 iso 0 dist 6.65595 6.43294 10.6819 8.52121 8.93946 5.51199 7.57295 7.80499 8.62476 6.55502 6.54743 8.90863 11.5843 12.4757 7.48086 numMergedOcc 0
7 mol 60 unq 1 iso 1 dist 6.65595 8.52121 8.93946 6.43294 10.6819 5.51199 7.57295 7.80499 6.55502 8.62476 6.54743 8.90863 12.4757 11.5843 7.48086 numMergedOcc 0
8 mol 60 unq 2 iso 0 dist 6.43294 6.65595 10.6819 9.25011 11.3621 4.73512 7.57295 8.62476 7.80499 5.6397 10.1562 8.33063 16.4714 17.3965 12.8147 numMergedOcc 0
9 mol 60 unq 2 iso 1 dist 6.43294 9.25011 11.3621 6.65595 10.6819 4.73512 7.57295 8.62476 5.6397 7.80499 10.1562 8.33063 17.3965 16.4714 12.8147 numMergedOcc 0
10 mol 60 unq 3 iso 0 dist 6.43294 6.65595 10.6819 9.25011 11.3621 4.73512 7.57295 8.62476 7.80499 5.6397 5.67502 8.7531 11.1899 12.4656 8.4312 numMergedOcc 0
11 mol 60 unq 3 iso 1 dist 6.43294 9.25011 11.3621 6.65595 10.6819 4.73512 7.57295 8.62476 5.6397 7.80499 5.67502 8.7531 12.4656 11.1899 8.4312 numMergedOcc 0
12 mol 60 unq 4 iso 0 dist 6.43294 6.65595 10.6819 8.52121 5.51199 8.93946 7.57295 8.62476 7.80499 6.55502 10.1562 8.33063 16.4714 13.1051 12.8147 numMergedOcc 0
13 mol 60 unq 4 iso 1 dist 6.43294 8.52121 5.51199 6.65595 10.6819 8.93946 7.57295 8.62476 6.55502 7.80499 10.1562 8.33063 13.1051 16.4714 12.8147 numMergedOcc 0
14 mol 60 unq 5 iso 0 dist 6.43294 6.65595 10.6819 8.52121 5.51199 8.93946 7.57295 8.62476 7.80499 6.55502 5.67502 8.7531 11.1899 11.6311 8.4312 numMergedOcc 0
15 mol 60 unq 5 iso 1 dist 6.43294 8.52121 5.51199 6.65595 10.6819 8.93946 7.57295 8.62476 6.55502 7.80499 5.67502 8.7531 11.6311 11.1899 8.4312 numMergedOcc 0
16 mol 60 unq 4 iso 0 dist 6.43294 9.25011 11.3621 8.52121 5.51199 7.66664 7.57295 8.62476 5.6397 6.55502 10.1562 8.33063 17.3965 13.1051 12.8147 numMergedOcc 0
17 mol 60 unq 4 iso 1 dist 6.43294 8.52121 5.51199 9.25011 11.3621 7.66664 7.57295 8.62476 6.55502 5.6397 10.1562 8.33063 13.1051 17.3965 12.8147 numMergedOcc 0
18 mol 60 unq 5 iso 0 dist 6.43294 9.25011 11.3621 8.52121 5.51199 7.66664 7.57295 8.62476 5.6397 6.55502 5.67502 8.7531 12.4656 11.6311 8.4312 numMergedOcc 0
19 mol 60 unq 5 iso 1 dist 6.43294 8.52121 5.51199 9.25011 11.3621 7.66664 7.57295 8.62476 6.55502 5.6397 5.67502 8.7531 11.6311 12.4656 8.4312 numMergedOcc 0
20 mol 73 unq 0 iso 0 dist 9.96396 9.38498 15.7123 9.75218 12.016 13.7412 9.73086 5.70116 17.4121 14.844 5.4148 6.19304 10.2049 11.6369 7.4369 numMergedOcc 0
21 mol 73 unq 0 iso 1 dist 9.96396 9.75218 12.016 9.38498 15.7123 13.7412 9.73086 5.70116 14.844 17.4121 5.4148 6.19304 11.6369 10.2049 7.4369 numMergedOcc 0
22 mol 73 unq 1 iso 0 dist 9.96396 9.38498 15.7123 9.75218 12.016 13.7412 9.73086 5.70116 17.4121 14.844 14.9342 8.70481 20.257 10.1207 12.8207 numMergedOcc 0
23 mol 73 unq 1 iso 1 dist 9.96396 9.75218 12.016 9.38498 15.7123 13.7412 9.73086 5.70116 14.844 17.4121 14.9342 8.70481 10.1207 20.257 12.8207 numMergedOcc 0
24 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 5.42586 7.97049 11.3023 7.47541 10.2413 numMergedOcc 0
25 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 5.42586 7.97049 7.47541 11.3023 10.2413 numMergedOcc 0
26 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 5.42586 7.47541 11.3023 7.97049 10.2413 numMergedOcc 0
27 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 5.42586 7.47541 7.97049 11.3023 10.2413 numMergedOcc 0
28 mol 85 unq 2 iso 0 dist 7.66905 7.95579 10.7229 6.19965 6.9948 4.26409 7.7068 5.59906 6.36397 4.41789 10.1164 5.73196 15.309 11.2656 11.2056 numMergedOcc 0
29 mol 85 unq 2 iso 1 dist 7.66905 6.19965 6.9948 7.95579 10.7229 4.26409 7.7068 5.59906 4.41789 6.36397 10.1164 5.73196 11.2656 15.309 11.2056 numMergedOcc 0
30 mol 95 unq 0 iso 0 dist 8.03644 9.03572 16.6055 8.83255 13.8105 6.59319 8.27883 15.6249 4.99174 8.67311 8.41707 7.27724 16.9836 16.9811 15.6447 numMergedOcc 0
31 mol 95 unq 0 iso 1 dist 8.03644 8.83255 13.8105 9.03572 16.6055 6.59319 8.27883 15.6249 8.67311 4.99174 8.41707 7.27724 16.9811 16.9836 15.6447 numMergedOcc 0
32 mol 95 unq 1 iso 0 dist 8.03644 9.03572 16.6055 8.83255 13.8105 6.59319 5.75428 12.4896 4.46005 3.94293 8.41707 7.27724 16.9836 16.9811 14.0772 numMergedOcc 0
33 mol 95 unq 1 iso 1 dist 8.03644 8.83255 13.8105 9.03572 16.6055 6.59319 5.75428 12.4896 3.94293 4.46005 8.41707 7.27724 16.9811 16.9836 14.0772 numMergedOcc 0
34 mol 95 unq 2 iso 0 dist 8.03644 9.03572 16.6055 8.83255 13.8105 6.59319 8.57395 14.2178 8.28518 9.22202 8.41707 7.27724 16.9836 16.9811 14.1515 numMergedOcc 0
35 mol 95 unq 2 iso 1 dist 8.03644 8.83255 13.8105 9.03572 16.6055 6.59319 8.57395 14.2178 9.22202 8.28518 8.41707 7.27724 16.9811 16.9836 14.1515 numMergedOcc 0
36 mol 95 unq 3 iso 0 dist 8.03644 9.03572 16.6055 8.83255 13.8105 6.59319 9.85409 8.78079 15.917 13.7484 8.41707 7.27724 16.9836 16.9811 10.3132 numMergedOcc 0
37 mol 95 unq 3 iso 1 dist 8.03644 8.83255 13.8105 9.03572 16.6055 6.59319 9.85409 8.78079 13.7484 15.917 8.41707 7.27724 16.9811 16.9836 10.3132 numMergedOcc 0
38 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 8.8807 6.65086 10.1409 14.9102 11.9928 numMergedOcc 0
39 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 8.8807 6.65086 14.9102 10.1409 11.9928 numMergedOcc 0
40 mol 100 unq 1 iso 0 dist 7.47343 6.45675 5.33144 8.86688 10.1407 9.71151 7.82475 5.9143 5.43561 5.25234 12.6515 6.56369 11.8665 13.6959 10.694 numMergedOcc 0
41 mol 100 unq 1 iso 1 dist 7.47343 8.86688 10.1407 6.45675 5.33144 9.71151 7.82475 5.9143 5.25234 5.43561 12.6515 6.56369 13.6959 11.8665 10.694 numMergedOcc 0
42 mol 100 unq 2 iso 0 dist 7.47343 6.45675 5.33144 8.86688 10.1407 9.71151 7.82475 5.9143 5.43561 5.25234 13.887 9.30209 13.912 18.2109 14.966 numMergedOcc 0
43 mol 100 unq 2 iso 1 dist 7.47343 8.86688 10.1407 6.45675 5.33144 9.71151 7.82475 5.9143 5.25234 5.43561 13.887 9.30209 18.2109 13.912 14.966 numMergedOcc 0
44 mol 100 unq 3 iso 0 dist 7.47343 6.45675 5.33144 8.86688 10.1407 9.71151 5.35782 5.47563 6.30222 5.03232 8.8807 6.65086 10.1409 14.9102 9.94341 numMergedOcc 0
45 mol 100 unq 3 iso 1 dist 7.47343 8.86688 10.1407 6.45675 5.33144 9.71151 5.35782 5.47563 5.03232 6.30222 8.8807 6.65086 14.9102 10.1409 9.94341 numMergedOcc 0
46 mol 100 unq 4 iso 0 dist 7.47343 6.45675 5.33144 8.86688 10.1407 9.71151 5.35782 5.47563 6.30222 5.03232 12.6515 6.56369 11.8665 13.6959 9.82522 numMergedOcc 0
47 mol 100 unq 4 iso 1 dist 7.47343 8.86688 10.1407 6.45675 5.33144 9.71151 5.35782 5.47563 5.03232 6.30222 12.6515 6.56369 13.6959 11.8665 9.82522 numMergedOcc 0
48 mol 100 unq 5 iso 0 dist 7.47343 6.45675 5.33144 8.86688 10.1407 9.71151 5.35782 5.47563 6.30222 5.03232 13.887 9.30209 13.912 18.2109 13.4844 numMergedOcc 0
49 mol 100 unq 5 iso 1 dist 7.47343 8.86688 10.1407 6.45675 5.33144 9.71151 5.35782 5.47563 5.03232 6.30222 13.887 9.30209 18.2109 13.912 13.4844 numMergedOcc 0
50 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 7.69052 9.33865 13.8473 6.11741 13.4105 numMergedOcc 0
51 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 7.69052 9.33865 6.11741 13.8473 13.4105 numMergedOcc 0
52 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 7.69052 9.33865 13.8473 6.11741 6.39384 numMergedOcc 0
53 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 7.69052 9.33865 6.11741 13.8473 6.39384 numMergedOcc 0
54 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 7.69052 6.11741 13.8473 9.33865 13.4105 numMergedOcc 0
55 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 7.69052 6.11741 9.33865 13.8473 13.4105 numMergedOcc 0
56 mol 115 unq 3 iso 0 dist 7.88312 7.30858 11.5723 5.83991 8.02349 10.8507 9.42082 6.07067 15.3161 6.63111 7.69052 6.11741 13.8473 9.33865 6.39384 numMergedOcc 0
57 mol 115 unq 3 iso 1 dist 7.88312 5.83991 8.02349 7.30858 11.5723 10.8507 9.42082 6.07067 6.63111 15.3161 7.69052 6.11741 9.33865 13.8473 6.39384 numMergedOcc 0
58 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 13.1058 9.84395 16.5575 17.163 16.804 numMergedOcc 0
59 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 13.1058 9.84395 17.163 16.5575 16.804 numMergedOcc 0
60 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 8.18495 7.11802 13.268 12.6651 12.5855 numMergedOcc 0
61 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 8.18495 7.11802 12.6651 13.268 12.5855 numMergedOcc 0
62 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 6.81259 9.86662 9.71307 12.5075 8.69531 numMergedOcc 0
63 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 6.81259 9.86662 12.5075 9.71307 8.69531 numMergedOcc 0
64 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 6.81259 9.71307 9.86662 12.5075 8.69531 numMergedOcc 0
65 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 6.81259 9.71307 12.5075 9.86662 8.69531 numMergedOcc 0
66 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 5.00526 6.54501 11.9139 9.5126 11.2896 numMergedOcc 0
67 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 5.00526 6.54501 9.5126 11.9139 11.2896 numMergedOcc 0
68 mol 142 unq 0 iso 0 dist 9.2313 7.73169 5.50998 8.96657 11.1395 5.92693 7.81207 4.67662 5.81599 11.1 5.32922 5.31024 7.26382 11.0824 6.14151 numMergedOcc 0
69 mol 142 unq 0 iso 1 dist 9.2313 8.96657 11.1395 7.73169 5.50998 5.92693 7.81207 4.67662 11.1 5.81599 5.32922 5.31024 11.0824 7.26382 6.14151 numMergedOcc 0
70 mol 142 unq 1 iso 0 dist 9.2313 7.73169 5.50998 8.96657 11.1395 5.92693 7.18002 13.5913 9.99555 6.52253 5.32922 5.31024 7.26382 11.0824 10.7696 numMergedOcc 0
71 mol 142 unq 1 iso 1 dist 9.2313 8.96657 11.1395 7.73169 5.50998 5.92693 7.18002 13.5913 6.52253 9.99555 5.32922 5.31024 11.0824 7.26382 10.7696 numMergedOcc 0
72 mol 142 unq 2 iso 0 dist 7.73169 9.2313 5.50998 8.96657 5.92693 11.1395 7.81207 5.81599 4.67662 11.1 5.32922 7.26382 5.31024 11.0824 6.14151 numMergedOcc 0
73 mol 142 unq 2 iso 1 dist 7.73169 8.96657 5.92693 9.2313 5.50998 11.1395 7.81207 5.81599 11.1 4.67662 5.32922 7.26382 11.0824 5.31024 6.14151 numMergedOcc 0
74 mol 142 unq 3 iso 0 dist 7.73169 9.2313 5.50998 8.96657 5.92693 11.1395 7.18002 9.99555 13.5913 6.52253 5.32922 7.26382 5.31024 11.0824 10.7696 numMergedOcc 0
75 mol 142 unq 3 iso 1 dist 7.73169 8.96657 5.92693 9.2313 5.50998 11.1395 7.18002 9.99555 6.52253 13.5913 5.32922 7.26382 11.0824 5.31024 10.7696 numMergedOcc 0
76 mol 152 unq 0 iso 0 dist 5.87555 6.70283 5.42328 8.67331 5.54906 6.4896 6.70693 4.94983 5.39112 9.67475 5.49936 8.87437 7.16148 8.05741 10.4895 numMergedOcc 0
77 mol 152 unq 0 iso 1 dist 5.87555 8.67331 5.54906 6.70283 5.42328 6.4896 6.70693 4.94983 9.67475 5.39112 5.49936 8.87437 8.05741 7.16148 10.4895 numMergedOcc 0
78 mol 152 unq 1 iso 0 dist 6.70283 5.87555 5.42328 8.67331 6.4896 5.54906 6.70693 5.39112 4.94983 9.67475 7.65448 8.56324 10.399 14.1618 6.59889 numMergedOcc 0
79 mol 152 unq 1 iso 1 dist 6.70283 8.67331 6.4896 5.87555 5.42328 5.54906 6.70693 5.39112 9.67475 4.94983 7.65448 8.56324 14.1618 10.399 6.59889 numMergedOcc 0
80 mol 152 unq 2 iso 0 dist 6.70283 5.87555 5.42328 8.67331 6.4896 5.54906 6.70693 5.39112 4.94983 9.67475 5.49936 7.16148 8.87437 8.05741 10.4895 numMergedOcc 0
81 mol 152 unq 2 iso 1 dist 6.70283 8.67331 6.4896 5.87555 5.42328 5.54906 6.70693 5.39112 9.67475 4.94983 5.49936 7.16148 8.05741 8.87437 10.4895 numMergedOcc 0
82 mol 152 unq 3 iso 0 dist 8.67331 5.87555 5.54906 6.70283 6.4896 5.42328 6.70693 9.67475 4.94983 5.39112 5.49936 8.05741 8.87437 7.16148 10.4895 numMergedOcc 0
83 mol 152 unq 3 iso 1 dist 8.67331 6.70283 6.4896 5.87555 5.54906 5.42328 6.70693 9.67475 5.39112 4.94983 5.49936 8.05741 7.16148 8.87437 10.4895 numMergedOcc 0
84 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 11.5372 8.95269 9.99123 14.0676 13.2325 numMergedOcc 0
85 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 11.5372 8.95269 14.0676 9.99123 13.2325 numMergedOcc 0
86 mol 224 unq 1 iso 0 dist 5.78342 9.16166 5.0744 5.81334 5.60236 6.91102 6.8692 7.05804 5.76843 4.54188 8.49799 6.57273 6.60589 10.5128 8.79428 numMergedOcc 0
87 mol 224 unq 1 iso 1 dist 5.78342 5.81334 5.60236 9.16166 5.0744 6.91102 6.8692 7.05804 4.54188 5.76843 8.49799 6.57273 10.5128 6.60589 8.79428 numMergedOcc 0
88 mol 224 unq 2 iso 0 dist 9.16166 5.78342 5.0744 5.81334 6.91102 5.60236 6.8692 5.76843 7.05804 4.54188 11.328 6.65832 10.103 10.9745 6.99769 numMergedOcc 0
89 mol 224 unq 2 iso 1 dist 9.16166 5.81334 6.91102 5.78342 5.0744 5.60236 6.8692 5.76843 4.54188 7.05804 11.328 6.65832 10.9745 10.103 6.99769 numMergedOcc 0
90 mol 224 unq 3 iso 0 dist 9.16166 5.78342 5.0744 5.81334 6.91102 5.60236 6.8692 5.76843 7.05804 4.54188 8.49799 6.60589 6.57273 10.5128 8.79428 numMergedOcc 0
91 mol 224 unq 3 iso 1 dist 9.16166 5.81334 6.91102 5.78342 5.0744 5.60236 6.8692 5.76843 4.54188 7.05804 8.49799 6.60589 10.5128 6.57273 8.79428 numMergedOcc 0
92 mol 236 unq 0 iso 0 dist 9.81562 7.68742 5.79505 6.27581 9.90963 11.3368 9.3206 4.27181 4.89609 10.5774 7.28249 8.03456 6.84306 9.99038 10.1317 numMergedOcc 0
93 mol 236 unq 0 iso 1 dist 9.81562 6.27581 9.90963 7.68742 5.79505 11.3368 9.3206 4.27181 10.5774 4.89609 7.28249 8.03456 9.99038 6.84306 10.1317 numMergedOcc 0
94 mol 236 unq 1 iso 0 dist 7.68742 9.81562 5.79505 6.27581 11.3368 9.90963 9.3206 4.89609 4.27181 10.5774 7.28249 6.84306 8.03456 9.99038 10.1317 numMergedOcc 0
95 mol 236 unq 1 iso 1 dist 7.68742 6.27581 11.3368 9.81562 5.79505 9.90963 9.3206 4.89609 10.5774 4.27181 7.28249 6.84306 9.99038 8.03456 10.1317 numMergedOcc 0
96 mol 236 unq 2 iso 0 dist 6.27581 9.81562 9.90963 7.68742 11.3368 5.79505 9.3206 10.5774 4.27181 4.89609 7.28249 9.99038 8.03456 6.84306 10.1317 numMergedOcc 0
97 mol 236 unq 2 iso 1 dist 6.27581 7.68742 11.3368 9.81562 9.90963 5.79505 9.3206 10.5774 4.89609 4.27181 7.28249 9.99038 6.84306 8.03456 10.1317 numMergedOcc 0
98 mol 259 unq 0 iso 0 dist 7.88519 7.84554 4.86771 7.46176 6.96053 7.64658 9.63573 7.20604 5.05362 5.21606 4.69778 8.13497 9.95973 10.3935 12.8229 numMergedOcc 0
99 mol 259 unq 0 iso 1 dist 7.88519 7.46176 6.96053 7.84554 4.86771 7.64658 9.63573 7.20604 5.21606 5.05362 4.69778 8.13497 10.3935 9.95973 12.8229 numMergedOcc 0
100 mol 259 unq 1 iso 0 dist 7.88519 7.84554 4.86771 7.46176 6.96053 7.64658 7.66153 8.8603 5.8801 11.8896 4.69778 8.13497 9.95973 10.3935 9.07743 numMergedOcc 0
101 mol 259 unq 1 iso 1 dist 7.88519 7.46176 6.96053 7.84554 4.86771 7.64658 7.66153 8.8603 11.8896 5.8801 4.69778 8.13497 10.3935 9.95973 9.07743 numMergedOcc 0
102 mol 259 unq 2 iso 0 dist 7.88519 7.84554 4.86771 9.18903 10.4881 5.87173 9.63573 7.20604 5.05362 7.46841 4.69778 8.13497 9.95973 12.6839 12.8229 numMergedOcc 0
103 mol 259 unq 2 iso 1 dist 7.88519 9.18903 10.4881 7.84554 4.86771 5.87173 9.63573 7.20604 7.46841 5.05362 4.69778 8.13497 12.6839 9.95973 12.8229 numMergedOcc 0
104 mol 259 unq 3 iso 0 dist 7.88519 7.84554 4.86771 9.18903 10.4881 5.87173 7.66153 8.8603 5.8801 5.81576 4.69778 8.13497 9.95973 12.6839 9.07743 numMergedOcc 0
105 mol 259 unq 3 iso 1 dist 7.88519 9.18903 10.4881 7.84554 4.86771 5.87173 7.66153 8.8603 5.81576 5.8801 4.69778 8.13497 12.6839 9.95973 9.07743 numMergedOcc 0
106 mol 259 unq 2 iso 0 dist 7.88519 7.46176 6.96053 9.18903 10.4881 10.5239 9.63573 7.20604 5.21606 7.46841 4.69778 8.13497 10.3935 12.6839 12.8229 numMergedOcc 0
107 mol 259 unq 2 iso 1 dist 7.88519 9.18903 10.4881 7.46176 6.96053 10.5239 9.63573 7.20604 7.46841 5.21606 4.69778 8.13497 12.6839 10.3935 12.8229 numMergedOcc 0
108 mol 259 unq 3 iso 0 dist 7.88519 7.46176 6.96053 9.18903 10.4881 10.5239 7.66153 8.8603 11.8896 5.81576 4.69778 8.13497 10.3935 12.6839 9.07743 numMergedOcc 0
109 mol 259 unq 3 iso 1 dist 7.88519 9.18903 10.4881 7.46176 6.96053 10.5239 7.66153 8.8603 5.81576 11.8896 4.69778 8.13497 12.6839 10.3935 9.07743 numMergedOcc 0
