0 mol 43 unq 0 iso 0 dist 5.73819 6.20293 5.06502 8.93915 5.89973 6.45462 6.75943 4.96926 5.41726 10.0383 numMergedOcc 0
1 mol 43 unq 0 iso 1 dist 5.73819 8.93915 5.89973 6.20293 5.06502 6.45462 6.75943 4.96926 10.0383 5.41726 numMergedOcc 0
2 mol 43 unq 0 iso 2 dist 6.20293 5.73819 5.06502 8.93915 6.45462 5.89973 6.75943 5.41726 4.96926 10.0383 numMergedOcc 0
3 mol 43 unq 0 iso 3 dist 6.20293 8.93915 6.45462 5.73819 5.06502 5.89973 6.75943 5.41726 10.0383 4.96926 numMergedOcc 0
4 mol 43 unq 0 iso 4 dist 8.93915 5.73819 5.89973 6.20293 6.45462 5.06502 6.75943 10.0383 4.96926 5.41726 numMergedOcc 0
5 mol 43 unq 0 iso 5 dist 8.93915 6.20293 6.45462 5.73819 5.89973 5.06502 6.75943 10.0383 5.41726 4.96926 numMergedOcc 0
6 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 numMergedOcc 0
7 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 numMergedOcc 0
8 mol 60 unq 0 iso 2 dist 9.25011 6.65595 4.73512 6.43294 11.3621 10.6819 7.57295 5.6397 7.80499 8.62476 numMergedOcc 0
9 mol 60 unq 0 iso 3 dist 9.25011 6.43294 11.3621 6.65595 4.73512 10.6819 7.57295 5.6397 8.62476 7.80499 numMergedOcc 0
10 mol 60 unq 0 iso 4 dist 6.43294 6.65595 10.6819 9.25011 11.3621 4.73512 7.57295 8.62476 7.80499 5.6397 numMergedOcc 0
11 mol 60 unq 0 iso 5 dist 6.43294 9.25011 11.3621 6.65595 10.6819 4.73512 7.57295 8.62476 5.6397 7.80499 numMergedOcc 0
12 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 numMergedOcc 0
13 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 numMergedOcc 0
14 mol 60 unq 1 iso 2 dist 9.25011 6.65595 4.73512 8.52121 7.66664 8.93946 7.57295 5.6397 7.80499 6.55502 numMergedOcc 0
15 mol 60 unq 1 iso 3 dist 9.25011 8.52121 7.66664 6.65595 4.73512 8.93946 7.57295 5.6397 6.55502 7.80499 numMergedOcc 0
16 mol 60 unq 1 iso 4 dist 8.52121 6.65595 8.93946 9.25011 7.66664 4.73512 7.57295 6.55502 7.80499 5.6397 numMergedOcc 0
17 mol 60 unq 1 iso 5 dist 8.52121 9.25011 7.66664 6.65595 8.93946 4.73512 7.57295 6.55502 5.6397 7.80499 numMergedOcc 0
18 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 numMergedOcc 0
19 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 numMergedOcc 0
20 mol 60 unq 1 iso 2 dist 6.43294 6.65595 10.6819 8.52121 5.51199 8.93946 7.57295 8.62476 7.80499 6.55502 numMergedOcc 0
21 mol 60 unq 1 iso 3 dist 6.43294 8.52121 5.51199 6.65595 10.6819 8.93946 7.57295 8.62476 6.55502 7.80499 numMergedOcc 0
22 mol 60 unq 1 iso 4 dist 8.52121 6.65595 8.93946 6.43294 5.51199 10.6819 7.57295 6.55502 7.80499 8.62476 numMergedOcc 0
23 mol 60 unq 1 iso 5 dist 8.52121 6.43294 5.51199 6.65595 8.93946 10.6819 7.57295 6.55502 8.62476 7.80499 numMergedOcc 0
24 mol 60 unq 1 iso 0 dist 9.25011 6.43294 11.3621 8.52121 7.66664 5.51199 7.57295 5.6397 8.62476 6.55502 numMergedOcc 0
25 mol 60 unq 1 iso 1 dist 9.25011 8.52121 7.66664 6.43294 11.3621 5.51199 7.57295 5.6397 6.55502 8.62476 numMergedOcc 0
26 mol 60 unq 1 iso 2 dist 6.43294 9.25011 11.3621 8.52121 5.51199 7.66664 7.57295 8.62476 5.6397 6.55502 numMergedOcc 0
27 mol 60 unq 1 iso 3 dist 6.43294 8.52121 5.51199 9.25011 11.3621 7.66664 7.57295 8.62476 6.55502 5.6397 numMergedOcc 0
28 mol 60 unq 1 iso 4 dist 8.52121 9.25011 7.66664 6.43294 5.51199 11.3621 7.57295 6.55502 5.6397 8.62476 numMergedOcc 0
29 mol 60 unq 1 iso 5 dist 8.52121 6.43294 5.51199 9.25011 7.66664 11.3621 7.57295 6.55502 8.62476 5.6397 numMergedOcc 0
30 mol 73 unq 0 iso 0 dist 9.38498 9.96396 15.7123 9.75218 13.7412 12.016 9.73086 17.4121 5.70116 14.844 numMergedOcc 0
31 mol 73 unq 0 iso 1 dist 9.38498 9.75218 13.7412 9.96396 15.7123 12.016 9.73086 17.4121 14.844 5.70116 numMergedOcc 0
32 mol 73 unq 0 iso 2 dist 9.96396 9.38498 15.7123 9.75218 12.016 13.7412 9.73086 5.70116 17.4121 14.844 numMergedOcc 0
33 mol 73 unq 0 iso 3 dist 9.96396 9.75218 12.016 9.38498 15.7123 13.7412 9.73086 5.70116 14.844 17.4121 numMergedOcc 0
34 mol 73 unq 0 iso 4 dist 9.75218 9.38498 13.7412 9.96396 12.016 15.7123 9.73086 14.844 17.4121 5.70116 numMergedOcc 0
35 mol 73 unq 0 iso 5 dist 9.75218 9.96396 12.016 9.38498 13.7412 15.7123 9.73086 14.844 5.70116 17.4121 numMergedOcc 0
36 mol 85 unq 0 iso 0 dist 7.95579 6.19965 4.26409 7.66905 10.7229 6.9948 7.7068 6.36397 4.41789 5.59906 numMergedOcc 0
37 mol 85 unq 0 iso 1 dist 7.95579 7.66905 10.7229 6.19965 4.26409 6.9948 7.7068 6.36397 5.59906 4.41789 numMergedOcc 0
38 mol 85 unq 0 iso 2 dist 6.19965 7.95579 4.26409 7.66905 6.9948 10.7229 7.7068 4.41789 6.36397 5.59906 numMergedOcc 0
39 mol 85 unq 0 iso 3 dist 6.19965 7.66905 6.9948 7.95579 4.26409 10.7229 7.7068 4.41789 5.59906 6.36397 numMergedOcc 0
40 mol 85 unq 0 iso 4 dist 7.66905 7.95579 10.7229 6.19965 6.9948 4.26409 7.7068 5.59906 6.36397 4.41789 numMergedOcc 0
41 mol 85 unq 0 iso 5 dist 7.66905 6.19965 6.9948 7.95579 10.7229 4.26409 7.7068 5.59906 4.41789 6.36397 numMergedOcc 0
42 mol 95 unq 0 iso 0 dist 9.03572 8.83255 6.59319 8.03644 16.6055 13.8105 8.27883 4.99174 8.67311 15.6249 numMergedOcc 0
43 mol 95 unq 0 iso 1 dist 9.03572 8.03644 16.6055 8.83255 6.59319 13.8105 8.27883 4.99174 15.6249 8.67311 numMergedOcc 0
44 mol 95 unq 0 iso 2 dist 8.83255 9.03572 6.59319 8.03644 13.8105 16.6055 8.27883 8.67311 4.99174 15.6249 numMergedOcc 0
45 mol 95 unq 0 iso 3 dist 8.83255 8.03644 13.8105 9.03572 6.59319 16.6055 8.27883 8.67311 15.6249 4.99174 numMergedOcc 0
46 mol 95 unq 0 iso 4 dist 8.03644 9.03572 16.6055 8.83255 13.8105 6.59319 8.27883 15.6249 4.99174 8.67311 numMergedOcc 0
47 mol 95 unq 0 iso 5 dist 8.03644 8.83255 13.8105 9.03572 16.6055 6.59319 8.27883 15.6249 8.67311 4.99174 numMergedOcc 0
48 mol 95 unq 1 iso 0 dist 9.03572 8.83255 6.59319 8.03644 16.6055 13.8105 5.75428 4.46005 3.94293 12.4896 numMergedOcc 0
49 mol 95 unq 1 iso 1 dist 9.03572 8.03644 16.6055 8.83255 6.59319 13.8105 5.75428 4.46005 12.4896 3.94293 numMergedOcc 0
50 mol 95 unq 1 iso 2 dist 8.83255 9.03572 6.59319 8.03644 13.8105 16.6055 5.75428 3.94293 4.46005 12.4896 numMergedOcc 0
51 mol 95 unq 1 iso 3 dist 8.83255 8.03644 13.8105 9.03572 6.59319 16.6055 5.75428 3.94293 12.4896 4.46005 numMergedOcc 0
52 mol 95 unq 1 iso 4 dist 8.03644 9.03572 16.6055 8.83255 13.8105 6.59319 5.75428 12.4896 4.46005 3.94293 numMergedOcc 0
53 mol 95 unq 1 iso 5 dist 8.03644 8.83255 13.8105 9.03572 16.6055 6.59319 5.75428 12.4896 3.94293 4.46005 numMergedOcc 0
54 mol 95 unq 2 iso 0 dist 9.03572 8.83255 6.59319 8.03644 16.6055 13.8105 8.57395 8.28518 9.22202 14.2178 numMergedOcc 0
55 mol 95 unq 2 iso 1 dist 9.03572 8.03644 16.6055 8.83255 6.59319 13.8105 8.57395 8.28518 14.2178 9.22202 numMergedOcc 0
56 mol 95 unq 2 iso 2 dist 8.83255 9.03572 6.59319 8.03644 13.8105 16.6055 8.57395 9.22202 8.28518 14.2178 numMergedOcc 0
57 mol 95 unq 2 iso 3 dist 8.83255 8.03644 13.8105 9.03572 6.59319 16.6055 8.57395 9.22202 14.2178 8.28518 numMergedOcc 0
58 mol 95 unq 2 iso 4 dist 8.03644 9.03572 16.6055 8.83255 13.8105 6.59319 8.57395 14.2178 8.28518 9.22202 numMergedOcc 0
59 mol 95 unq 2 iso 5 dist 8.03644 8.83255 13.8105 9.03572 16.6055 6.59319 8.57395 14.2178 9.22202 8.28518 numMergedOcc 0
60 mol 95 unq 3 iso 0 dist 9.03572 8.83255 6.59319 8.03644 16.6055 13.8105 9.85409 15.917 13.7484 8.78079 numMergedOcc 0
61 mol 95 unq 3 iso 1 dist 9.03572 8.03644 16.6055 8.83255 6.59319 13.8105 9.85409 15.917 8.78079 13.7484 numMergedOcc 0
62 mol 95 unq 3 iso 2 dist 8.83255 9.03572 6.59319 8.03644 13.8105 16.6055 9.85409 13.7484 15.917 8.78079 numMergedOcc 0
63 mol 95 unq 3 iso 3 dist 8.83255 8.03644 13.8105 9.03572 6.59319 16.6055 9.85409 13.7484 8.78079 15.917 numMergedOcc 0
64 mol 95 unq 3 iso 4 dist 8.03644 9.03572 16.6055 8.83255 13.8105 6.59319 9.85409 8.78079 15.917 13.7484 numMergedOcc 0
65 mol 95 unq 3 iso 5 dist 8.03644 8.83255 13.8105 9.03572 16.6055 6.59319 9.85409 8.78079 13.7484 15.917 numMergedOcc 0
66 mol 100 unq 0 iso 0 dist 6.45675 7.47343 5.33144 8.86688 9.71151 10.1407 7.82475 5.43561 5.9143 5.25234 numMergedOcc 0
67 mol 100 unq 0 iso 1 dist 6.45675 8.86688 9.71151 7.47343 5.33144 10.1407 7.82475 5.43561 5.25234 5.9143 numMergedOcc 0
68 mol 100 unq 0 iso 2 dist 7.47343 6.45675 5.33144 8.86688 10.1407 9.71151 7.82475 5.9143 5.43561 5.25234 numMergedOcc 0
69 mol 100 unq 0 iso 3 dist 7.47343 8.86688 10.1407 6.45675 5.33144 9.71151 7.82475 5.9143 5.25234 5.43561 numMergedOcc 0
70 mol 100 unq 0 iso 4 dist 8.86688 6.45675 9.71151 7.47343 10.1407 5.33144 7.82475 5.25234 5.43561 5.9143 numMergedOcc 0
71 mol 100 unq 0 iso 5 dist 8.86688 7.47343 10.1407 6.45675 9.71151 5.33144 7.82475 5.25234 5.9143 5.43561 numMergedOcc 0
72 mol 100 unq 1 iso 0 dist 6.45675 7.47343 5.33144 8.86688 9.71151 10.1407 5.35782 6.30222 5.47563 5.03232 numMergedOcc 0
73 mol 100 unq 1 iso 1 dist 6.45675 8.86688 9.71151 7.47343 5.33144 10.1407 5.35782 6.30222 5.03232 5.47563 numMergedOcc 0
74 mol 100 unq 1 iso 2 dist 7.47343 6.45675 5.33144 8.86688 10.1407 9.71151 5.35782 5.47563 6.30222 5.03232 numMergedOcc 0
75 mol 100 unq 1 iso 3 dist 7.47343 8.86688 10.1407 6.45675 5.33144 9.71151 5.35782 5.47563 5.03232 6.30222 numMergedOcc 0
76 mol 100 unq 1 iso 4 dist 8.86688 6.45675 9.71151 7.47343 10.1407 5.33144 5.35782 5.03232 6.30222 5.47563 numMergedOcc 0
77 mol 100 unq 1 iso 5 dist 8.86688 7.47343 10.1407 6.45675 9.71151 5.33144 5.35782 5.03232 5.47563 6.30222 numMergedOcc 0
78 mol 115 unq 0 iso 0 dist 7.30858 5.83991 10.8507 7.88312 11.5723 8.02349 7.69765 10.3209 4.48636 11.835 numMergedOcc 0
79 mol 115 unq 0 iso 1 dist 7.30858 7.88312 11.5723 5.83991 10.8507 8.02349 7.69765 10.3209 11.835 4.48636 numMergedOcc 0
80 mol 115 unq 0 iso 2 dist 5.83991 7.30858 10.8507 7.88312 8.02349 11.5723 7.69765 4.48636 10.3209 11.835 numMergedOcc 0
81 mol 115 unq 0 iso 3 dist 5.83991 7.88312 8.02349 7.30858 10.8507 11.5723 7.69765 4.48636 11.835 10.3209 numMergedOcc 0
82 mol 115 unq 0 iso 4 dist 7.88312 7.30858 11.5723 5.83991 8.02349 10.8507 7.69765 11.835 10.3209 4.48636 numMergedOcc 0
83 mol 115 unq 0 iso 5 dist 7.88312 5.83991 8.02349 7.30858 11.5723 10.8507 7.69765 11.835 4.48636 10.3209 numMergedOcc 0
84 mol 115 unq 1 iso 0 dist 7.30858 5.83991 10.8507 7.88312 11.5723 8.02349 9.42082 15.3161 6.63111 6.07067 numMergedOcc 0
85 mol 115 unq 1 iso 1 dist 7.30858 7.88312 11.5723 5.83991 10.8507 8.02349 9.42082 15.3161 6.07067 6.63111 numMergedOcc 0
86 mol 115 unq 1 iso 2 dist 5.83991 7.30858 10.8507 7.88312 8.02349 11.5723 9.42082 6.63111 15.3161 6.07067 numMergedOcc 0
87 mol 115 unq 1 iso 3 dist 5.83991 7.88312 8.02349 7.30858 10.8507 11.5723 9.42082 6.63111 6.07067 15.3161 numMergedOcc 0
88 mol 115 unq 1 iso 4 dist 7.88312 7.30858 11.5723 5.83991 8.02349 10.8507 9.42082 6.07067 15.3161 6.63111 numMergedOcc 0
89 mol 115 unq 1 iso 5 dist 7.88312 5.83991 8.02349 7.30858 11.5723 10.8507 9.42082 6.07067 6.63111 15.3161 numMergedOcc 0
90 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 numMergedOcc 0
91 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 numMergedOcc 0
92 mol 117 unq 0 iso 2 dist 7.83136 7.90328 7.22206 7.0603 7.21564 9.3584 8.84018 3.77029 7.20875 5.21535 numMergedOcc 0
93 mol 117 unq 0 iso 3 dist 7.83136 7.0603 7.21564 7.90328 7.22206 9.3584 8.84018 3.77029 5.21535 7.20875 numMergedOcc 0
94 mol 117 unq 0 iso 4 dist 7.0603 7.90328 9.3584 7.83136 7.21564 7.22206 8.84018 5.21535 7.20875 3.77029 numMergedOcc 0
95 mol 117 unq 0 iso 5 dist 7.0603 7.83136 7.21564 7.90328 9.3584 7.22206 8.84018 5.21535 3.77029 7.20875 numMergedOcc 0
96 mol 133 unq 0 iso 0 dist 6.29155 6.80239 7.81217 8.00618 11.965 7.79672 8.77023 13.0405 13.7612 15.0115 numMergedOcc 0
97 mol 133 unq 0 iso 1 dist 6.29155 8.00618 11.965 6.80239 7.81217 7.79672 8.77023 13.0405 15.0115 13.7612 numMergedOcc 0
98 mol 133 unq 0 iso 2 dist 6.80239 6.29155 7.81217 8.00618 7.79672 11.965 8.77023 13.7612 13.0405 15.0115 numMergedOcc 0
99 mol 133 unq 0 iso 3 dist 6.80239 8.00618 7.79672 6.29155 7.81217 11.965 8.77023 13.7612 15.0115 13.0405 numMergedOcc 0
100 mol 133 unq 0 iso 4 dist 8.00618 6.29155 11.965 6.80239 7.79672 7.81217 8.77023 15.0115 13.0405 13.7612 numMergedOcc 0
101 mol 133 unq 0 iso 5 dist 8.00618 6.80239 7.79672 6.29155 11.965 7.81217 8.77023 15.0115 13.7612 13.0405 numMergedOcc 0
102 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 numMergedOcc 0
103 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 numMergedOcc 0
104 mol 134 unq 0 iso 2 dist 6.37586 8.94367 5.49782 6.49416 5.00817 8.80819 9.33094 10.8635 7.41373 12.3479 numMergedOcc 0
105 mol 134 unq 0 iso 3 dist 6.37586 6.49416 5.00817 8.94367 5.49782 8.80819 9.33094 10.8635 12.3479 7.41373 numMergedOcc 0
106 mol 134 unq 0 iso 4 dist 6.49416 8.94367 8.80819 6.37586 5.00817 5.49782 9.33094 12.3479 7.41373 10.8635 numMergedOcc 0
107 mol 134 unq 0 iso 5 dist 6.49416 6.37586 5.00817 8.94367 8.80819 5.49782 9.33094 12.3479 10.8635 7.41373 numMergedOcc 0
108 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 numMergedOcc 0
109 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 numMergedOcc 0
110 mol 142 unq 0 iso 2 dist 7.73169 9.2313 5.50998 8.96657 5.92693 11.1395 7.81207 5.81599 4.67662 11.1 numMergedOcc 0
111 mol 142 unq 0 iso 3 dist 7.73169 8.96657 5.92693 9.2313 5.50998 11.1395 7.81207 5.81599 11.1 4.67662 numMergedOcc 0
112 mol 142 unq 0 iso 4 dist 8.96657 9.2313 11.1395 7.73169 5.92693 5.50998 7.81207 11.1 4.67662 5.81599 numMergedOcc 0
113 mol 142 unq 0 iso 5 dist 8.96657 7.73169 5.92693 9.2313 11.1395 5.50998 7.81207 11.1 5.81599 4.67662 numMergedOcc 0
114 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 numMergedOcc 0
115 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 numMergedOcc 0
116 mol 142 unq 1 iso 2 dist 7.73169 9.2313 5.50998 8.96657 5.92693 11.1395 7.18002 9.99555 13.5913 6.52253 numMergedOcc 0
117 mol 142 unq 1 iso 3 dist 7.73169 8.96657 5.92693 9.2313 5.50998 11.1395 7.18002 9.99555 6.52253 13.5913 numMergedOcc 0
118 mol 142 unq 1 iso 4 dist 8.96657 9.2313 11.1395 7.73169 5.92693 5.50998 7.18002 6.52253 13.5913 9.99555 numMergedOcc 0
119 mol 142 unq 1 iso 5 dist 8.96657 7.73169 5.92693 9.2313 11.1395 5.50998 7.18002 6.52253 9.99555 13.5913 numMergedOcc 0
120 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 numMergedOcc 0
121 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 numMergedOcc 0
122 mol 152 unq 0 iso 2 dist 6.70283 5.87555 5.42328 8.67331 6.4896 5.54906 6.70693 5.39112 4.94983 9.67475 numMergedOcc 0
123 mol 152 unq 0 iso 3 dist 6.70283 8.67331 6.4896 5.87555 5.42328 5.54906 6.70693 5.39112 9.67475 4.94983 numMergedOcc 0
124 mol 152 unq 0 iso 4 dist 8.67331 5.87555 5.54906 6.70283 6.4896 5.42328 6.70693 9.67475 4.94983 5.39112 numMergedOcc 0
125 mol 152 unq 0 iso 5 dist 8.67331 6.70283 6.4896 5.87555 5.54906 5.42328 6.70693 9.67475 5.39112 4.94983 numMergedOcc 0
126 mol 178 unq 0 iso 0 dist 6.69288 6.43573 5.34677 7.17202 11.7381 9.89739 9.11204 8.44333 6.8202 14.9499 numMergedOcc 0
127 mol 178 unq 0 iso 1 dist 6.69288 7.17202 11.7381 6.43573 5.34677 9.89739 9.11204 8.44333 14.9499 6.8202 numMergedOcc 0
128 mol 178 unq 0 iso 2 dist 6.43573 6.69288 5.34677 7.17202 9.89739 11.7381 9.11204 6.8202 8.44333 14.9499 numMergedOcc 0
129 mol 178 unq 0 iso 3 dist 6.43573 7.17202 9.89739 6.69288 5.34677 11.7381 9.11204 6.8202 14.9499 8.44333 numMergedOcc 0
130 mol 178 unq 0 iso 4 dist 7.17202 6.69288 11.7381 6.43573 9.89739 5.34677 9.11204 14.9499 8.44333 6.8202 numMergedOcc 0
131 mol 178 unq 0 iso 5 dist 7.17202 6.43573 9.89739 6.69288 11.7381 5.34677 9.11204 14.9499 6.8202 8.44333 numMergedOcc 0
132 mol 178 unq 1 iso 0 dist 6.69288 6.43573 5.34677 8.81551 14.0703 10.5529 9.11204 8.44333 6.8202 14.2467 numMergedOcc 0
133 mol 178 unq 1 iso 1 dist 6.69288 8.81551 14.0703 6.43573 5.34677 10.5529 9.11204 8.44333 14.2467 6.8202 numMergedOcc 0
134 mol 178 unq 1 iso 2 dist 6.43573 6.69288 5.34677 8.81551 10.5529 14.0703 9.11204 6.8202 8.44333 14.2467 numMergedOcc 0
135 mol 178 unq 1 iso 3 dist 6.43573 8.81551 10.5529 6.69288 5.34677 14.0703 9.11204 6.8202 14.2467 8.44333 numMergedOcc 0
136 mol 178 unq 1 iso 4 dist 8.81551 6.69288 14.0703 6.43573 10.5529 5.34677 9.11204 14.2467 8.44333 6.8202 numMergedOcc 0
137 mol 178 unq 1 iso 5 dist 8.81551 6.43573 10.5529 6.69288 14.0703 5.34677 9.11204 14.2467 6.8202 8.44333 numMergedOcc 0
138 mol 178 unq 1 iso 0 dist 6.69288 7.17202 11.7381 8.81551 14.0703 5.18005 9.11204 8.44333 14.9499 14.2467 numMergedOcc 0
139 mol 178 unq 1 iso 1 dist 6.69288 8.81551 14.0703 7.17202 11.7381 5.18005 9.11204 8.44333 14.2467 14.9499 numMergedOcc 0
140 mol 178 unq 1 iso 2 dist 7.17202 6.69288 11.7381 8.81551 5.18005 14.0703 9.11204 14.9499 8.44333 14.2467 numMergedOcc 0
141 mol 178 unq 1 iso 3 dist 7.17202 8.81551 5.18005 6.69288 11.7381 14.0703 9.11204 14.9499 14.2467 8.44333 numMergedOcc 0
142 mol 178 unq 1 iso 4 dist 8.81551 6.69288 14.0703 7.17202 5.18005 11.7381 9.11204 14.2467 8.44333 14.9499 numMergedOcc 0
143 mol 178 unq 1 iso 5 dist 8.81551 7.17202 5.18005 6.69288 14.0703 11.7381 9.11204 14.2467 14.9499 8.44333 numMergedOcc 0
144 mol 178 unq 1 iso 0 dist 6.43573 7.17202 9.89739 8.81551 10.5529 5.18005 9.11204 6.8202 14.9499 14.2467 numMergedOcc 0
145 mol 178 unq 1 iso 1 dist 6.43573 8.81551 10.5529 7.17202 9.89739 5.18005 9.11204 6.8202 14.2467 14.9499 numMergedOcc 0
146 mol 178 unq 1 iso 2 dist 7.17202 6.43573 9.89739 8.81551 5.18005 10.5529 9.11204 14.9499 6.8202 14.2467 numMergedOcc 0
147 mol 178 unq 1 iso 3 dist 7.17202 8.81551 5.18005 6.43573 9.89739 10.5529 9.11204 14.9499 14.2467 6.8202 numMergedOcc 0
148 mol 178 unq 1 iso 4 dist 8.81551 6.43573 10.5529 7.17202 5.18005 9.89739 9.11204 14.2467 6.8202 14.9499 numMergedOcc 0
149 mol 178 unq 1 iso 5 dist 8.81551 7.17202 5.18005 6.43573 10.5529 9.89739 9.11204 14.2467 14.9499 6.8202 numMergedOcc 0
150 mol 205 unq 0 iso 0 dist 6.03031 7.26832 7.38516 7.80463 8.18714 13.8543 6.52816 9.49403 13.514 3.56269 numMergedOcc 0
151 mol 205 unq 0 iso 1 dist 6.03031 7.80463 8.18714 7.26832 7.38516 13.8543 6.52816 9.49403 3.56269 13.514 numMergedOcc 0
152 mol 205 unq 0 iso 2 dist 7.26832 6.03031 7.38516 7.80463 13.8543 8.18714 6.52816 13.514 9.49403 3.56269 numMergedOcc 0
153 mol 205 unq 0 iso 3 dist 7.26832 7.80463 13.8543 6.03031 7.38516 8.18714 6.52816 13.514 3.56269 9.49403 numMergedOcc 0
154 mol 205 unq 0 iso 4 dist 7.80463 6.03031 8.18714 7.26832 13.8543 7.38516 6.52816 3.56269 9.49403 13.514 numMergedOcc 0
155 mol 205 unq 0 iso 5 dist 7.80463 7.26832 13.8543 6.03031 8.18714 7.38516 6.52816 3.56269 13.514 9.49403 numMergedOcc 0
156 mol 214 unq 0 iso 0 dist 9.65138 7.14453 9.10746 8.85478 4.40923 11.3796 7.46481 11.4955 8.459 11.1534 numMergedOcc 0
157 mol 214 unq 0 iso 1 dist 9.65138 8.85478 4.40923 7.14453 9.10746 11.3796 7.46481 11.4955 11.1534 8.459 numMergedOcc 0
158 mol 214 unq 0 iso 2 dist 7.14453 9.65138 9.10746 8.85478 11.3796 4.40923 7.46481 8.459 11.4955 11.1534 numMergedOcc 0
159 mol 214 unq 0 iso 3 dist 7.14453 8.85478 11.3796 9.65138 9.10746 4.40923 7.46481 8.459 11.1534 11.4955 numMergedOcc 0
160 mol 214 unq 0 iso 4 dist 8.85478 9.65138 4.40923 7.14453 11.3796 9.10746 7.46481 11.1534 11.4955 8.459 numMergedOcc 0
161 mol 214 unq 0 iso 5 dist 8.85478 7.14453 11.3796 9.65138 4.40923 9.10746 7.46481 11.1534 8.459 11.4955 numMergedOcc 0
162 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 numMergedOcc 0
163 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 numMergedOcc 0
164 mol 224 unq 0 iso 2 dist 9.16166 5.78342 5.0744 5.81334 6.91102 5.60236 6.8692 5.76843 7.05804 4.54188 numMergedOcc 0
165 mol 224 unq 0 iso 3 dist 9.16166 5.81334 6.91102 5.78342 5.0744 5.60236 6.8692 5.76843 4.54188 7.05804 numMergedOcc 0
166 mol 224 unq 0 iso 4 dist 5.81334 5.78342 5.60236 9.16166 6.91102 5.0744 6.8692 4.54188 7.05804 5.76843 numMergedOcc 0
167 mol 224 unq 0 iso 5 dist 5.81334 9.16166 6.91102 5.78342 5.60236 5.0744 6.8692 4.54188 5.76843 7.05804 numMergedOcc 0
168 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 numMergedOcc 0
169 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 numMergedOcc 0
170 mol 236 unq 0 iso 2 dist 7.68742 9.81562 5.79505 6.27581 11.3368 9.90963 9.3206 4.89609 4.27181 10.5774 numMergedOcc 0
171 mol 236 unq 0 iso 3 dist 7.68742 6.27581 11.3368 9.81562 5.79505 9.90963 9.3206 4.89609 10.5774 4.27181 numMergedOcc 0
172 mol 236 unq 0 iso 4 dist 6.27581 9.81562 9.90963 7.68742 11.3368 5.79505 9.3206 10.5774 4.27181 4.89609 numMergedOcc 0
173 mol 236 unq 0 iso 5 dist 6.27581 7.68742 11.3368 9.81562 9.90963 5.79505 9.3206 10.5774 4.89609 4.27181 numMergedOcc 0
174 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 numMergedOcc 0
175 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 numMergedOcc 0
176 mol 259 unq 0 iso 2 dist 7.84554 7.88519 4.86771 7.46176 7.64658 6.96053 9.63573 5.05362 7.20604 5.21606 numMergedOcc 0
177 mol 259 unq 0 iso 3 dist 7.84554 7.46176 7.64658 7.88519 4.86771 6.96053 9.63573 5.05362 5.21606 7.20604 numMergedOcc 0
178 mol 259 unq 0 iso 4 dist 7.46176 7.88519 6.96053 7.84554 7.64658 4.86771 9.63573 5.21606 7.20604 5.05362 numMergedOcc 0
179 mol 259 unq 0 iso 5 dist 7.46176 7.84554 7.64658 7.88519 6.96053 4.86771 9.63573 5.21606 5.05362 7.20604 numMergedOcc 0
180 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 numMergedOcc 0
181 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 numMergedOcc 0
182 mol 259 unq 1 iso 2 dist 7.84554 7.88519 4.86771 7.46176 7.64658 6.96053 7.66153 5.8801 8.8603 11.8896 numMergedOcc 0
183 mol 259 unq 1 iso 3 dist 7.84554 7.46176 7.64658 7.88519 4.86771 6.96053 7.66153 5.8801 11.8896 8.8603 numMergedOcc 0
184 mol 259 unq 1 iso 4 dist 7.46176 7.88519 6.96053 7.84554 7.64658 4.86771 7.66153 11.8896 8.8603 5.8801 numMergedOcc 0
185 mol 259 unq 1 iso 5 dist 7.46176 7.84554 7.64658 7.88519 6.96053 4.86771 7.66153 11.8896 5.8801 8.8603 numMergedOcc 0
186 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 numMergedOcc 0
187 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 numMergedOcc 0
188 mol 259 unq 2 iso 2 dist 7.84554 7.88519 4.86771 9.18903 5.87173 10.4881 9.63573 5.05362 7.20604 7.46841 numMergedOcc 0
189 mol 259 unq 2 iso 3 dist 7.84554 9.18903 5.87173 7.88519 4.86771 10.4881 9.63573 5.05362 7.46841 7.20604 numMergedOcc 0
190 mol 259 unq 2 iso 4 dist 9.18903 7.88519 10.4881 7.84554 5.87173 4.86771 9.63573 7.46841 7.20604 5.05362 numMergedOcc 0
191 mol 259 unq 2 iso 5 dist 9.18903 7.84554 5.87173 7.88519 10.4881 4.86771 9.63573 7.46841 5.05362 7.20604 numMergedOcc 0
192 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 numMergedOcc 0
193 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 numMergedOcc 0
194 mol 259 unq 3 iso 2 dist 7.84554 7.88519 4.86771 9.18903 5.87173 10.4881 7.66153 5.8801 8.8603 5.81576 numMergedOcc 0
195 mol 259 unq 3 iso 3 dist 7.84554 9.18903 5.87173 7.88519 4.86771 10.4881 7.66153 5.8801 5.81576 8.8603 numMergedOcc 0
196 mol 259 unq 3 iso 4 dist 9.18903 7.88519 10.4881 7.84554 5.87173 4.86771 7.66153 5.81576 8.8603 5.8801 numMergedOcc 0
197 mol 259 unq 3 iso 5 dist 9.18903 7.84554 5.87173 7.88519 10.4881 4.86771 7.66153 5.81576 5.8801 8.8603 numMergedOcc 0
198 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 numMergedOcc 0
199 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 numMergedOcc 0
200 mol 259 unq 2 iso 2 dist 7.46176 7.88519 6.96053 9.18903 10.5239 10.4881 9.63573 5.21606 7.20604 7.46841 numMergedOcc 0
201 mol 259 unq 2 iso 3 dist 7.46176 9.18903 10.5239 7.88519 6.96053 10.4881 9.63573 5.21606 7.46841 7.20604 numMergedOcc 0
202 mol 259 unq 2 iso 4 dist 9.18903 7.88519 10.4881 7.46176 10.5239 6.96053 9.63573 7.46841 7.20604 5.21606 numMergedOcc 0
203 mol 259 unq 2 iso 5 dist 9.18903 7.46176 10.5239 7.88519 10.4881 6.96053 9.63573 7.46841 5.21606 7.20604 numMergedOcc 0
204 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 numMergedOcc 0
205 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 numMergedOcc 0
206 mol 259 unq 3 iso 2 dist 7.46176 7.88519 6.96053 9.18903 10.5239 10.4881 7.66153 11.8896 8.8603 5.81576 numMergedOcc 0
207 mol 259 unq 3 iso 3 dist 7.46176 9.18903 10.5239 7.88519 6.96053 10.4881 7.66153 11.8896 5.81576 8.8603 numMergedOcc 0
208 mol 259 unq 3 iso 4 dist 9.18903 7.88519 10.4881 7.46176 10.5239 6.96053 7.66153 5.81576 8.8603 11.8896 numMergedOcc 0
209 mol 259 unq 3 iso 5 dist 9.18903 7.46176 10.5239 7.88519 10.4881 6.96053 7.66153 5.81576 11.8896 8.8603 numMergedOcc 0
210 mol 259 unq 2 iso 0 dist 7.84554 7.46176 7.64658 9.18903 5.87173 10.5239 9.63573 5.05362 5.21606 7.46841 numMergedOcc 0
211 mol 259 unq 2 iso 1 dist 7.84554 9.18903 5.87173 7.46176 7.64658 10.5239 9.63573 5.05362 7.46841 5.21606 numMergedOcc 0
212 mol 259 unq 2 iso 2 dist 7.46176 7.84554 7.64658 9.18903 10.5239 5.87173 9.63573 5.21606 5.05362 7.46841 numMergedOcc 0
213 mol 259 unq 2 iso 3 dist 7.46176 9.18903 10.5239 7.84554 7.64658 5.87173 9.63573 5.21606 7.46841 5.05362 numMergedOcc 0
214 mol 259 unq 2 iso 4 dist 9.18903 7.84554 5.87173 7.46176 10.5239 7.64658 9.63573 7.46841 5.05362 5.21606 numMergedOcc 0
215 mol 259 unq 2 iso 5 dist 9.18903 7.46176 10.5239 7.84554 5.87173 7.64658 9.63573 7.46841 5.21606 5.05362 numMergedOcc 0
216 mol 259 unq 3 iso 0 dist 7.84554 7.46176 7.64658 9.18903 5.87173 10.5239 7.66153 5.8801 11.8896 5.81576 numMergedOcc 0
217 mol 259 unq 3 iso 1 dist 7.84554 9.18903 5.87173 7.46176 7.64658 10.5239 7.66153 5.8801 5.81576 11.8896 numMergedOcc 0
218 mol 259 unq 3 iso 2 dist 7.46176 7.84554 7.64658 9.18903 10.5239 5.87173 7.66153 11.8896 5.8801 5.81576 numMergedOcc 0
219 mol 259 unq 3 iso 3 dist 7.46176 9.18903 10.5239 7.84554 7.64658 5.87173 7.66153 11.8896 5.81576 5.8801 numMergedOcc 0
220 mol 259 unq 3 iso 4 dist 9.18903 7.84554 5.87173 7.46176 10.5239 7.64658 7.66153 5.81576 5.8801 11.8896 numMergedOcc 0
221 mol 259 unq 3 iso 5 dist 9.18903 7.46176 10.5239 7.84554 5.87173 7.64658 7.66153 5.81576 11.8896 5.8801 numMergedOcc 0
