0 mol 19 unq 0 iso 0 dist 7.84393 9.01721 7.82074 14.9301 10.3915 8.4674 10.1953 5.03957 4.54938 7.67038 numMergedOcc 0
1 mol 19 unq 0 iso 1 dist 7.84393 9.01721 7.82074 10.1953 5.03957 4.54938 14.9301 10.3915 8.4674 7.67038 numMergedOcc 0
2 mol 19 unq 1 iso 0 dist 8.18518 6.57145 4.54938 10.7917 7.34551 7.20519 12.9091 5.80928 6.864 7.07775 numMergedOcc 0
3 mol 19 unq 1 iso 1 dist 8.18518 6.57145 4.54938 12.9091 5.80928 6.864 10.7917 7.34551 7.20519 7.07775 numMergedOcc 0
4 mol 60 unq 0 iso 0 dist 8.8058 12.5818 6.43294 17.8366 10.6819 6.65595 17.4408 11.3621 9.25011 4.73512 numMergedOcc 0
5 mol 60 unq 0 iso 1 dist 8.8058 12.5818 6.43294 17.4408 11.3621 9.25011 17.8366 10.6819 6.65595 4.73512 numMergedOcc 0
6 mol 60 unq 1 iso 0 dist 8.8058 12.5818 6.43294 17.8366 10.6819 6.65595 12.1949 5.51199 8.52121 8.93946 numMergedOcc 0
7 mol 60 unq 1 iso 1 dist 8.8058 12.5818 6.43294 12.1949 5.51199 8.52121 17.8366 10.6819 6.65595 8.93946 numMergedOcc 0
8 mol 60 unq 1 iso 0 dist 8.8058 12.5818 6.43294 17.4408 11.3621 9.25011 12.1949 5.51199 8.52121 7.66664 numMergedOcc 0
9 mol 60 unq 1 iso 1 dist 8.8058 12.5818 6.43294 12.1949 5.51199 8.52121 17.4408 11.3621 9.25011 7.66664 numMergedOcc 0
10 mol 73 unq 0 iso 0 dist 6.30194 10.5627 6.19304 10.392 5.4148 9.96396 18.5427 13.3558 8.70481 14.9342 numMergedOcc 0
11 mol 73 unq 0 iso 1 dist 6.30194 10.5627 6.19304 18.5427 13.3558 8.70481 10.392 5.4148 9.96396 14.9342 numMergedOcc 0
12 mol 73 unq 1 iso 0 dist 5.79954 12.8388 9.96396 10.4766 5.4148 6.19304 15.4777 14.9342 8.70481 13.3558 numMergedOcc 0
13 mol 73 unq 1 iso 1 dist 5.79954 12.8388 9.96396 15.4777 14.9342 8.70481 10.4766 5.4148 6.19304 13.3558 numMergedOcc 0
14 mol 73 unq 2 iso 0 dist 7.01889 15.0744 9.96396 10.997 5.4148 6.19304 17.1639 14.9342 8.70481 13.3558 numMergedOcc 0
15 mol 73 unq 2 iso 1 dist 7.01889 15.0744 9.96396 17.1639 14.9342 8.70481 10.997 5.4148 6.19304 13.3558 numMergedOcc 0
16 mol 75 unq 0 iso 0 dist 7.16583 6.77761 7.79912 11.6681 5.64643 8.56639 13.9013 10.4899 8.59017 7.00674 numMergedOcc 0
17 mol 75 unq 0 iso 1 dist 7.16583 6.77761 7.79912 13.9013 10.4899 8.59017 11.6681 5.64643 8.56639 7.00674 numMergedOcc 0
18 mol 75 unq 1 iso 0 dist 7.118 5.06305 7.79912 8.24814 5.64643 8.56639 11.548 10.4899 8.59017 7.00674 numMergedOcc 0
19 mol 75 unq 1 iso 1 dist 7.118 5.06305 7.79912 11.548 10.4899 8.59017 8.24814 5.64643 8.56639 7.00674 numMergedOcc 0
20 mol 75 unq 2 iso 0 dist 8.24814 5.06305 8.56639 7.118 5.64643 7.79912 11.548 7.00674 8.59017 10.4899 numMergedOcc 0
21 mol 75 unq 2 iso 1 dist 8.24814 5.06305 8.56639 11.548 7.00674 8.59017 7.118 5.64643 7.79912 10.4899 numMergedOcc 0
22 mol 85 unq 0 iso 0 dist 9.22376 3.85308 7.66905 11.7729 10.7229 7.95579 9.8682 6.9948 6.19965 4.26409 numMergedOcc 0
23 mol 85 unq 0 iso 1 dist 9.22376 3.85308 7.66905 9.8682 6.9948 6.19965 11.7729 10.7229 7.95579 4.26409 numMergedOcc 0
24 mol 95 unq 0 iso 0 dist 9.40559 11.8978 8.03644 18.3849 16.6055 9.03572 15.9184 13.8105 8.83255 6.59319 numMergedOcc 0
25 mol 95 unq 0 iso 1 dist 9.40559 11.8978 8.03644 15.9184 13.8105 8.83255 18.3849 16.6055 9.03572 6.59319 numMergedOcc 0
26 mol 100 unq 0 iso 0 dist 9.57498 6.89762 6.45675 10.0165 5.33144 7.47343 15.6218 9.71151 8.86688 10.1407 numMergedOcc 0
27 mol 100 unq 0 iso 1 dist 9.57498 6.89762 6.45675 15.6218 9.71151 8.86688 10.0165 5.33144 7.47343 10.1407 numMergedOcc 0
28 mol 109 unq 0 iso 0 dist 8.46734 6.43998 7.34473 10.1051 7 8.58044 14.4597 8.40993 9.97763 6.94915 numMergedOcc 0
29 mol 109 unq 0 iso 1 dist 8.46734 6.43998 7.34473 14.4597 8.40993 9.97763 10.1051 7 8.58044 6.94915 numMergedOcc 0
30 mol 115 unq 0 iso 0 dist 7.44784 7.64822 7.30858 12.7842 10.8507 5.83991 9.56867 11.5723 7.88312 8.02349 numMergedOcc 0
31 mol 115 unq 0 iso 1 dist 7.44784 7.64822 7.30858 9.56867 11.5723 7.88312 12.7842 10.8507 5.83991 8.02349 numMergedOcc 0
32 mol 115 unq 1 iso 0 dist 9.56867 7.64822 7.88312 7.44784 11.5723 7.30858 12.7842 8.02349 5.83991 10.8507 numMergedOcc 0
33 mol 115 unq 1 iso 1 dist 9.56867 7.64822 7.88312 12.7842 8.02349 5.83991 7.44784 11.5723 7.30858 10.8507 numMergedOcc 0
34 mol 133 unq 0 iso 0 dist 7.15203 5.38237 7.24514 12.6562 6.761 9.91388 10.7939 7.6656 9.52634 6.69554 numMergedOcc 0
35 mol 133 unq 0 iso 1 dist 7.15203 5.38237 7.24514 10.7939 7.6656 9.52634 12.6562 6.761 9.91388 6.69554 numMergedOcc 0
36 mol 133 unq 1 iso 0 dist 9.89098 8.96845 9.91388 13.5771 6.69554 9.52634 12.2343 6.761 7.24514 7.6656 numMergedOcc 0
37 mol 133 unq 1 iso 1 dist 9.89098 8.96845 9.91388 12.2343 6.761 7.24514 13.5771 6.69554 9.52634 7.6656 numMergedOcc 0
38 mol 134 unq 0 iso 0 dist 5.67862 9.52819 6.37586 10.738 5.49782 8.94367 7.97208 5.00817 6.49416 8.80819 numMergedOcc 0
39 mol 134 unq 0 iso 1 dist 5.67862 9.52819 6.37586 7.97208 5.00817 6.49416 10.738 5.49782 8.94367 8.80819 numMergedOcc 0
40 mol 134 unq 1 iso 0 dist 7.97208 9.52819 6.49416 10.738 8.80819 8.94367 5.67862 5.00817 6.37586 5.49782 numMergedOcc 0
41 mol 134 unq 1 iso 1 dist 7.97208 9.52819 6.49416 5.67862 5.00817 6.37586 10.738 8.80819 8.94367 5.49782 numMergedOcc 0
42 mol 175 unq 0 iso 0 dist 6.73365 5.73338 5.6234 12.3723 6.2715 9.0018 9.45659 5.35493 6.57069 8.16421 numMergedOcc 0
43 mol 175 unq 0 iso 1 dist 6.73365 5.73338 5.6234 9.45659 5.35493 6.57069 12.3723 6.2715 9.0018 8.16421 numMergedOcc 0
44 mol 175 unq 1 iso 0 dist 9.45659 5.73338 6.57069 12.3723 8.16421 9.0018 6.73365 5.35493 5.6234 6.2715 numMergedOcc 0
45 mol 175 unq 1 iso 1 dist 9.45659 5.73338 6.57069 6.73365 5.35493 5.6234 12.3723 8.16421 9.0018 6.2715 numMergedOcc 0
46 mol 186 unq 0 iso 0 dist 7.45401 6.8549 7.54065 15.0174 13.8792 9.70748 11.5381 5.74635 8.87694 14.9058 numMergedOcc 0
47 mol 186 unq 0 iso 1 dist 7.45401 6.8549 7.54065 11.5381 5.74635 8.87694 15.0174 13.8792 9.70748 14.9058 numMergedOcc 0
48 mol 186 unq 1 iso 0 dist 6.86297 8.03427 8.87694 10.7452 5.74635 7.54065 13.9315 14.9058 9.70748 13.8792 numMergedOcc 0
49 mol 186 unq 1 iso 1 dist 6.86297 8.03427 8.87694 13.9315 14.9058 9.70748 10.7452 5.74635 7.54065 13.8792 numMergedOcc 0
50 mol 224 unq 0 iso 0 dist 4.79841 11.4653 8.95269 9.04374 4.70378 6.57273 15.1903 11.5372 5.78342 8.49799 numMergedOcc 0
51 mol 224 unq 0 iso 1 dist 4.79841 11.4653 8.95269 15.1903 11.5372 5.78342 9.04374 4.70378 6.57273 8.49799 numMergedOcc 0
52 mol 224 unq 1 iso 0 dist 7.25658 5.38198 6.65832 10.8312 6.77699 6.60589 11.1589 11.328 9.16166 8.49799 numMergedOcc 0
53 mol 224 unq 1 iso 1 dist 7.25658 5.38198 6.65832 11.1589 11.328 9.16166 10.8312 6.77699 6.60589 8.49799 numMergedOcc 0
54 mol 236 unq 0 iso 0 dist 6.73134 5.27568 8.35971 12.96 14.2337 8.03456 10.8312 14.7998 6.84306 5.79505 numMergedOcc 0
55 mol 236 unq 0 iso 1 dist 6.73134 5.27568 8.35971 10.8312 14.7998 6.84306 12.96 14.2337 8.03456 5.79505 numMergedOcc 0
56 mol 236 unq 1 iso 0 dist 6.73134 5.27568 8.35971 12.96 14.2337 8.03456 11.2195 10.7497 9.99038 9.90963 numMergedOcc 0
57 mol 236 unq 1 iso 1 dist 6.73134 5.27568 8.35971 11.2195 10.7497 9.99038 12.96 14.2337 8.03456 9.90963 numMergedOcc 0
58 mol 236 unq 2 iso 0 dist 6.73134 5.27568 8.35971 12.96 14.2337 8.03456 14.0541 12.0369 9.78037 6.96005 numMergedOcc 0
59 mol 236 unq 2 iso 1 dist 6.73134 5.27568 8.35971 14.0541 12.0369 9.78037 12.96 14.2337 8.03456 6.96005 numMergedOcc 0
60 mol 236 unq 1 iso 0 dist 6.73134 5.27568 8.35971 10.8312 14.7998 6.84306 11.2195 10.7497 9.99038 11.3368 numMergedOcc 0
61 mol 236 unq 1 iso 1 dist 6.73134 5.27568 8.35971 11.2195 10.7497 9.99038 10.8312 14.7998 6.84306 11.3368 numMergedOcc 0
62 mol 236 unq 2 iso 0 dist 6.73134 5.27568 8.35971 10.8312 14.7998 6.84306 14.0541 12.0369 9.78037 11.8739 numMergedOcc 0
63 mol 236 unq 2 iso 1 dist 6.73134 5.27568 8.35971 14.0541 12.0369 9.78037 10.8312 14.7998 6.84306 11.8739 numMergedOcc 0
64 mol 236 unq 2 iso 0 dist 6.73134 5.27568 8.35971 11.2195 10.7497 9.99038 14.0541 12.0369 9.78037 11.1557 numMergedOcc 0
65 mol 236 unq 2 iso 1 dist 6.73134 5.27568 8.35971 14.0541 12.0369 9.78037 11.2195 10.7497 9.99038 11.1557 numMergedOcc 0
66 mol 248 unq 0 iso 0 dist 6.44967 9.48478 7.69895 11.4848 5.55137 7.21521 15.9246 10.8081 8.2965 5.86196 numMergedOcc 0
67 mol 248 unq 0 iso 1 dist 6.44967 9.48478 7.69895 15.9246 10.8081 8.2965 11.4848 5.55137 7.21521 5.86196 numMergedOcc 0
68 mol 259 unq 0 iso 0 dist 6.96379 12.7595 7.88519 11.7889 4.86771 7.84554 11.1532 6.96053 7.46176 7.64658 numMergedOcc 0
69 mol 259 unq 0 iso 1 dist 6.96379 12.7595 7.88519 11.1532 6.96053 7.46176 11.7889 4.86771 7.84554 7.64658 numMergedOcc 0
70 mol 259 unq 1 iso 0 dist 6.96379 12.7595 7.88519 11.7889 4.86771 7.84554 17.4423 10.4881 9.18903 5.87173 numMergedOcc 0
71 mol 259 unq 1 iso 1 dist 6.96379 12.7595 7.88519 17.4423 10.4881 9.18903 11.7889 4.86771 7.84554 5.87173 numMergedOcc 0
72 mol 259 unq 1 iso 0 dist 6.96379 12.7595 7.88519 11.1532 6.96053 7.46176 17.4423 10.4881 9.18903 10.5239 numMergedOcc 0
73 mol 259 unq 1 iso 1 dist 6.96379 12.7595 7.88519 17.4423 10.4881 9.18903 11.1532 6.96053 7.46176 10.5239 numMergedOcc 0
74 mol 261 unq 0 iso 0 dist 7.15785 6.5875 8.02547 13.1629 10.0727 8.43057 9.43169 5.51688 6.05727 4.63549 numMergedOcc 0
75 mol 261 unq 0 iso 1 dist 7.15785 6.5875 8.02547 9.43169 5.51688 6.05727 13.1629 10.0727 8.43057 4.63549 numMergedOcc 0
76 mol 261 unq 1 iso 0 dist 9.43169 6.5875 6.05727 7.15785 5.51688 8.02547 13.1629 4.63549 8.43057 10.0727 numMergedOcc 0
77 mol 261 unq 1 iso 1 dist 9.43169 6.5875 6.05727 13.1629 4.63549 8.43057 7.15785 5.51688 8.02547 10.0727 numMergedOcc 0
78 mol 282 unq 0 iso 0 dist 8.58671 8.13794 8.04483 14.7737 10.0156 8.76532 11.0247 5.39891 6.33524 4.66602 numMergedOcc 0
79 mol 282 unq 0 iso 1 dist 8.58671 8.13794 8.04483 11.0247 5.39891 6.33524 14.7737 10.0156 8.76532 4.66602 numMergedOcc 0
80 mol 282 unq 1 iso 0 dist 6.84554 9.67023 8.76532 14.1723 10.0156 8.04483 9.51581 4.66602 6.33524 5.39891 numMergedOcc 0
81 mol 282 unq 1 iso 1 dist 6.84554 9.67023 8.76532 9.51581 4.66602 6.33524 14.1723 10.0156 8.04483 5.39891 numMergedOcc 0
82 mol 282 unq 2 iso 0 dist 9.51581 9.67023 6.33524 14.1723 5.39891 8.04483 6.84554 4.66602 8.76532 10.0156 numMergedOcc 0
83 mol 282 unq 2 iso 1 dist 9.51581 9.67023 6.33524 6.84554 4.66602 8.76532 14.1723 5.39891 8.04483 10.0156 numMergedOcc 0
