0 mol 18 unq 0 iso 0 dist 8.51213 11.0081 9.51761 11.3758 7.3094 9.70492 5.34733 5.65084 12.6536 9.36767 numMergedOcc 0
1 mol 18 unq 0 iso 1 dist 8.51213 11.3758 7.3094 11.0081 9.51761 9.70492 5.34733 5.65084 9.36767 12.6536 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 6.80849 13.9888 8.86116 10.1696 8.38394 6.44287 6.08283 8.09311 11.6226 6.17155 numMergedOcc 0
3 mol 24 unq 0 iso 1 dist 6.80849 10.1696 8.38394 13.9888 8.86116 6.44287 6.08283 8.09311 6.17155 11.6226 numMergedOcc 0
4 mol 24 unq 1 iso 0 dist 6.80849 13.9888 8.86116 10.1696 8.38394 6.44287 6.99919 9.05357 13.1949 10.3122 numMergedOcc 0
5 mol 24 unq 1 iso 1 dist 6.80849 10.1696 8.38394 13.9888 8.86116 6.44287 6.99919 9.05357 10.3122 13.1949 numMergedOcc 0
6 mol 25 unq 0 iso 0 dist 6.00307 7.95074 7.57578 10.3928 7.17969 4.33106 3.8857 4.79873 10.2864 11.4148 numMergedOcc 0
7 mol 25 unq 0 iso 1 dist 6.00307 10.3928 7.17969 7.95074 7.57578 4.33106 3.8857 4.79873 11.4148 10.2864 numMergedOcc 0
8 mol 25 unq 1 iso 0 dist 6.00307 7.95074 7.57578 10.3928 7.17969 4.33106 11.2808 9.48085 5.18617 5.68041 numMergedOcc 0
9 mol 25 unq 1 iso 1 dist 6.00307 10.3928 7.17969 7.95074 7.57578 4.33106 11.2808 9.48085 5.68041 5.18617 numMergedOcc 0
10 mol 60 unq 0 iso 0 dist 8.46609 4.72836 6.65595 9.1013 9.25011 4.73512 12.2249 7.57295 7.80499 5.6397 numMergedOcc 0
11 mol 60 unq 0 iso 1 dist 8.46609 9.1013 9.25011 4.72836 6.65595 4.73512 12.2249 7.57295 5.6397 7.80499 numMergedOcc 0
12 mol 60 unq 1 iso 0 dist 8.46609 4.72836 6.65595 12.4802 6.43294 10.6819 12.2249 7.57295 7.80499 8.62476 numMergedOcc 0
13 mol 60 unq 1 iso 1 dist 8.46609 12.4802 6.43294 4.72836 6.65595 10.6819 12.2249 7.57295 8.62476 7.80499 numMergedOcc 0
14 mol 60 unq 2 iso 0 dist 8.46609 4.72836 6.65595 11.7276 8.52121 8.93946 12.2249 7.57295 7.80499 6.55502 numMergedOcc 0
15 mol 60 unq 2 iso 1 dist 8.46609 11.7276 8.52121 4.72836 6.65595 8.93946 12.2249 7.57295 6.55502 7.80499 numMergedOcc 0
16 mol 60 unq 1 iso 0 dist 8.46609 9.1013 9.25011 12.4802 6.43294 11.3621 12.2249 7.57295 5.6397 8.62476 numMergedOcc 0
17 mol 60 unq 1 iso 1 dist 8.46609 12.4802 6.43294 9.1013 9.25011 11.3621 12.2249 7.57295 8.62476 5.6397 numMergedOcc 0
18 mol 60 unq 2 iso 0 dist 8.46609 9.1013 9.25011 11.7276 8.52121 7.66664 12.2249 7.57295 5.6397 6.55502 numMergedOcc 0
19 mol 60 unq 2 iso 1 dist 8.46609 11.7276 8.52121 9.1013 9.25011 7.66664 12.2249 7.57295 6.55502 5.6397 numMergedOcc 0
20 mol 60 unq 2 iso 0 dist 8.46609 12.4802 6.43294 11.7276 8.52121 5.51199 12.2249 7.57295 8.62476 6.55502 numMergedOcc 0
21 mol 60 unq 2 iso 1 dist 8.46609 11.7276 8.52121 12.4802 6.43294 5.51199 12.2249 7.57295 6.55502 8.62476 numMergedOcc 0
22 mol 95 unq 0 iso 0 dist 8.13273 6.56354 9.03572 6.68919 8.83255 6.59319 3.84897 8.27883 4.99174 8.67311 numMergedOcc 0
23 mol 95 unq 0 iso 1 dist 8.13273 6.68919 8.83255 6.56354 9.03572 6.59319 3.84897 8.27883 8.67311 4.99174 numMergedOcc 0
24 mol 95 unq 1 iso 0 dist 8.13273 6.56354 9.03572 6.68919 8.83255 6.59319 5.78182 5.75428 4.46005 3.94293 numMergedOcc 0
25 mol 95 unq 1 iso 1 dist 8.13273 6.68919 8.83255 6.56354 9.03572 6.59319 5.78182 5.75428 3.94293 4.46005 numMergedOcc 0
26 mol 95 unq 2 iso 0 dist 8.13273 6.56354 9.03572 6.68919 8.83255 6.59319 12.5746 8.57395 8.28518 9.22202 numMergedOcc 0
27 mol 95 unq 2 iso 1 dist 8.13273 6.68919 8.83255 6.56354 9.03572 6.59319 12.5746 8.57395 9.22202 8.28518 numMergedOcc 0
28 mol 95 unq 3 iso 0 dist 8.13273 6.56354 9.03572 6.68919 8.83255 6.59319 16.9294 9.85409 15.917 13.7484 numMergedOcc 0
29 mol 95 unq 3 iso 1 dist 8.13273 6.68919 8.83255 6.56354 9.03572 6.59319 16.9294 9.85409 13.7484 15.917 numMergedOcc 0
30 mol 95 unq 4 iso 0 dist 8.13273 6.56354 9.03572 14.1434 8.03644 16.6055 3.84897 8.27883 4.99174 15.6249 numMergedOcc 0
31 mol 95 unq 4 iso 1 dist 8.13273 14.1434 8.03644 6.56354 9.03572 16.6055 3.84897 8.27883 15.6249 4.99174 numMergedOcc 0
32 mol 95 unq 5 iso 0 dist 8.13273 6.56354 9.03572 14.1434 8.03644 16.6055 5.78182 5.75428 4.46005 12.4896 numMergedOcc 0
33 mol 95 unq 5 iso 1 dist 8.13273 14.1434 8.03644 6.56354 9.03572 16.6055 5.78182 5.75428 12.4896 4.46005 numMergedOcc 0
34 mol 95 unq 6 iso 0 dist 8.13273 6.56354 9.03572 14.1434 8.03644 16.6055 12.5746 8.57395 8.28518 14.2178 numMergedOcc 0
35 mol 95 unq 6 iso 1 dist 8.13273 14.1434 8.03644 6.56354 9.03572 16.6055 12.5746 8.57395 14.2178 8.28518 numMergedOcc 0
36 mol 95 unq 7 iso 0 dist 8.13273 6.56354 9.03572 14.1434 8.03644 16.6055 16.9294 9.85409 15.917 8.78079 numMergedOcc 0
37 mol 95 unq 7 iso 1 dist 8.13273 14.1434 8.03644 6.56354 9.03572 16.6055 16.9294 9.85409 8.78079 15.917 numMergedOcc 0
38 mol 95 unq 4 iso 0 dist 8.13273 6.68919 8.83255 14.1434 8.03644 13.8105 3.84897 8.27883 8.67311 15.6249 numMergedOcc 0
39 mol 95 unq 4 iso 1 dist 8.13273 14.1434 8.03644 6.68919 8.83255 13.8105 3.84897 8.27883 15.6249 8.67311 numMergedOcc 0
40 mol 95 unq 5 iso 0 dist 8.13273 6.68919 8.83255 14.1434 8.03644 13.8105 5.78182 5.75428 3.94293 12.4896 numMergedOcc 0
41 mol 95 unq 5 iso 1 dist 8.13273 14.1434 8.03644 6.68919 8.83255 13.8105 5.78182 5.75428 12.4896 3.94293 numMergedOcc 0
42 mol 95 unq 6 iso 0 dist 8.13273 6.68919 8.83255 14.1434 8.03644 13.8105 12.5746 8.57395 9.22202 14.2178 numMergedOcc 0
43 mol 95 unq 6 iso 1 dist 8.13273 14.1434 8.03644 6.68919 8.83255 13.8105 12.5746 8.57395 14.2178 9.22202 numMergedOcc 0
44 mol 95 unq 7 iso 0 dist 8.13273 6.68919 8.83255 14.1434 8.03644 13.8105 16.9294 9.85409 13.7484 8.78079 numMergedOcc 0
45 mol 95 unq 7 iso 1 dist 8.13273 14.1434 8.03644 6.68919 8.83255 13.8105 16.9294 9.85409 8.78079 13.7484 numMergedOcc 0
46 mol 115 unq 0 iso 0 dist 5.11612 10.3475 9.33865 6.86762 5.83991 7.69052 3.85674 6.24825 6.95773 6.01673 numMergedOcc 0
47 mol 115 unq 0 iso 1 dist 5.11612 6.86762 5.83991 10.3475 9.33865 7.69052 3.85674 6.24825 6.01673 6.95773 numMergedOcc 0
48 mol 115 unq 1 iso 0 dist 5.22628 10.0419 9.33865 6.8104 6.11741 8.02349 3.82475 6.39384 6.63111 6.07067 numMergedOcc 0
49 mol 115 unq 1 iso 1 dist 5.22628 6.8104 6.11741 10.0419 9.33865 8.02349 3.82475 6.39384 6.07067 6.63111 numMergedOcc 0
50 mol 133 unq 0 iso 0 dist 8.29673 5.78974 7.24514 9.35671 8.22656 6.65743 10.2739 8.26547 5.03174 4.88025 numMergedOcc 0
51 mol 133 unq 0 iso 1 dist 8.29673 9.35671 8.22656 5.78974 7.24514 6.65743 10.2739 8.26547 4.88025 5.03174 numMergedOcc 0
52 mol 178 unq 0 iso 0 dist 7.14849 6.96904 6.69288 7.57303 6.43573 5.34677 3.95924 9.11204 8.44333 6.8202 numMergedOcc 0
53 mol 178 unq 0 iso 1 dist 7.14849 7.57303 6.43573 6.96904 6.69288 5.34677 3.95924 9.11204 6.8202 8.44333 numMergedOcc 0
54 mol 178 unq 1 iso 0 dist 7.14849 6.96904 6.69288 14.0459 7.17202 11.7381 3.95924 9.11204 8.44333 14.9499 numMergedOcc 0
55 mol 178 unq 1 iso 1 dist 7.14849 14.0459 7.17202 6.96904 6.69288 11.7381 3.95924 9.11204 14.9499 8.44333 numMergedOcc 0
56 mol 178 unq 2 iso 0 dist 7.14849 6.96904 6.69288 14.3001 8.81551 14.0703 3.95924 9.11204 8.44333 14.2467 numMergedOcc 0
57 mol 178 unq 2 iso 1 dist 7.14849 14.3001 8.81551 6.96904 6.69288 14.0703 3.95924 9.11204 14.2467 8.44333 numMergedOcc 0
58 mol 178 unq 1 iso 0 dist 7.14849 7.57303 6.43573 14.0459 7.17202 9.89739 3.95924 9.11204 6.8202 14.9499 numMergedOcc 0
59 mol 178 unq 1 iso 1 dist 7.14849 14.0459 7.17202 7.57303 6.43573 9.89739 3.95924 9.11204 14.9499 6.8202 numMergedOcc 0
60 mol 178 unq 2 iso 0 dist 7.14849 7.57303 6.43573 14.3001 8.81551 10.5529 3.95924 9.11204 6.8202 14.2467 numMergedOcc 0
61 mol 178 unq 2 iso 1 dist 7.14849 14.3001 8.81551 7.57303 6.43573 10.5529 3.95924 9.11204 14.2467 6.8202 numMergedOcc 0
62 mol 178 unq 2 iso 0 dist 7.14849 14.0459 7.17202 14.3001 8.81551 5.18005 3.95924 9.11204 14.9499 14.2467 numMergedOcc 0
63 mol 178 unq 2 iso 1 dist 7.14849 14.3001 8.81551 14.0459 7.17202 5.18005 3.95924 9.11204 14.2467 14.9499 numMergedOcc 0
64 mol 178 unq 3 iso 0 dist 8.63718 11.5509 6.69288 7.31401 6.43573 5.34677 12.5927 9.11204 8.44333 6.8202 numMergedOcc 0
65 mol 178 unq 3 iso 1 dist 8.63718 7.31401 6.43573 11.5509 6.69288 5.34677 12.5927 9.11204 6.8202 8.44333 numMergedOcc 0
66 mol 178 unq 4 iso 0 dist 8.63718 11.5509 6.69288 5.91018 7.17202 11.7381 12.5927 9.11204 8.44333 14.9499 numMergedOcc 0
67 mol 178 unq 4 iso 1 dist 8.63718 5.91018 7.17202 11.5509 6.69288 11.7381 12.5927 9.11204 14.9499 8.44333 numMergedOcc 0
68 mol 178 unq 5 iso 0 dist 8.63718 11.5509 6.69288 4.92895 8.81551 14.0703 12.5927 9.11204 8.44333 14.2467 numMergedOcc 0
69 mol 178 unq 5 iso 1 dist 8.63718 4.92895 8.81551 11.5509 6.69288 14.0703 12.5927 9.11204 14.2467 8.44333 numMergedOcc 0
70 mol 178 unq 4 iso 0 dist 8.63718 7.31401 6.43573 5.91018 7.17202 9.89739 12.5927 9.11204 6.8202 14.9499 numMergedOcc 0
71 mol 178 unq 4 iso 1 dist 8.63718 5.91018 7.17202 7.31401 6.43573 9.89739 12.5927 9.11204 14.9499 6.8202 numMergedOcc 0
72 mol 178 unq 5 iso 0 dist 8.63718 7.31401 6.43573 4.92895 8.81551 10.5529 12.5927 9.11204 6.8202 14.2467 numMergedOcc 0
73 mol 178 unq 5 iso 1 dist 8.63718 4.92895 8.81551 7.31401 6.43573 10.5529 12.5927 9.11204 14.2467 6.8202 numMergedOcc 0
74 mol 178 unq 5 iso 0 dist 8.63718 5.91018 7.17202 4.92895 8.81551 5.18005 12.5927 9.11204 14.9499 14.2467 numMergedOcc 0
75 mol 178 unq 5 iso 1 dist 8.63718 4.92895 8.81551 5.91018 7.17202 5.18005 12.5927 9.11204 14.2467 14.9499 numMergedOcc 0
76 mol 204 unq 0 iso 0 dist 6.20646 5.21426 7.10633 8.35604 8.51516 10.8344 6.05253 7.9133 10.7169 5.57347 numMergedOcc 0
77 mol 204 unq 0 iso 1 dist 6.20646 8.35604 8.51516 5.21426 7.10633 10.8344 6.05253 7.9133 5.57347 10.7169 numMergedOcc 0
78 mol 204 unq 1 iso 0 dist 6.73266 5.57112 7.10633 12.1292 8.51516 10.8344 13.3588 7.9133 10.7169 5.57347 numMergedOcc 0
79 mol 204 unq 1 iso 1 dist 6.73266 12.1292 8.51516 5.57112 7.10633 10.8344 13.3588 7.9133 5.57347 10.7169 numMergedOcc 0
80 mol 234 unq 0 iso 0 dist 8.9413 12.4455 9.45496 14.0876 6.7625 7.82322 14.075 7.81215 12.4252 5.75498 numMergedOcc 0
81 mol 234 unq 0 iso 1 dist 8.9413 14.0876 6.7625 12.4455 9.45496 7.82322 14.075 7.81215 5.75498 12.4252 numMergedOcc 0
82 mol 234 unq 1 iso 0 dist 4.91961 11.5103 9.45496 4.98993 6.7625 7.82322 4.84686 7.81215 12.4252 5.75498 numMergedOcc 0
83 mol 234 unq 1 iso 1 dist 4.91961 4.98993 6.7625 11.5103 9.45496 7.82322 4.84686 7.81215 5.75498 12.4252 numMergedOcc 0
84 mol 236 unq 0 iso 0 dist 5.99137 13.7629 9.81562 13.3575 7.68742 5.79505 13.9834 9.3206 4.27181 4.89609 numMergedOcc 0
85 mol 236 unq 0 iso 1 dist 5.99137 13.3575 7.68742 13.7629 9.81562 5.79505 13.9834 9.3206 4.89609 4.27181 numMergedOcc 0
86 mol 236 unq 1 iso 0 dist 5.99137 13.7629 9.81562 5.03598 6.27581 9.90963 13.9834 9.3206 4.27181 10.5774 numMergedOcc 0
87 mol 236 unq 1 iso 1 dist 5.99137 5.03598 6.27581 13.7629 9.81562 9.90963 13.9834 9.3206 10.5774 4.27181 numMergedOcc 0
88 mol 236 unq 1 iso 0 dist 5.99137 13.3575 7.68742 5.03598 6.27581 11.3368 13.9834 9.3206 4.89609 10.5774 numMergedOcc 0
89 mol 236 unq 1 iso 1 dist 5.99137 5.03598 6.27581 13.3575 7.68742 11.3368 13.9834 9.3206 10.5774 4.89609 numMergedOcc 0
90 mol 238 unq 0 iso 0 dist 5.99187 5.74685 6.22714 5.87189 7.31233 5.34096 13.6867 9.08509 12.7938 11.0772 numMergedOcc 0
91 mol 238 unq 0 iso 1 dist 5.99187 5.87189 7.31233 5.74685 6.22714 5.34096 13.6867 9.08509 11.0772 12.7938 numMergedOcc 0
92 mol 259 unq 0 iso 0 dist 5.29682 5.48552 8.53687 5.56656 8.13497 10.582 5.13757 9.07743 6.73882 8.8603 numMergedOcc 0
93 mol 259 unq 0 iso 1 dist 5.29682 5.56656 8.13497 5.48552 8.53687 10.582 5.13757 9.07743 8.8603 6.73882 numMergedOcc 0
94 mol 259 unq 1 iso 0 dist 6.20344 5.56656 7.88519 6.08432 7.84554 4.86771 10.4532 9.63573 7.20604 5.05362 numMergedOcc 0
95 mol 259 unq 1 iso 1 dist 6.20344 6.08432 7.84554 5.56656 7.88519 4.86771 10.4532 9.63573 5.05362 7.20604 numMergedOcc 0
96 mol 259 unq 2 iso 0 dist 6.20344 5.56656 7.88519 6.08432 7.84554 4.86771 5.13757 7.66153 8.8603 5.8801 numMergedOcc 0
97 mol 259 unq 2 iso 1 dist 6.20344 6.08432 7.84554 5.56656 7.88519 4.86771 5.13757 7.66153 5.8801 8.8603 numMergedOcc 0
98 mol 259 unq 3 iso 0 dist 6.20344 5.56656 7.88519 10.3156 7.46176 6.96053 10.4532 9.63573 7.20604 5.21606 numMergedOcc 0
99 mol 259 unq 3 iso 1 dist 6.20344 10.3156 7.46176 5.56656 7.88519 6.96053 10.4532 9.63573 5.21606 7.20604 numMergedOcc 0
100 mol 259 unq 4 iso 0 dist 6.20344 5.56656 7.88519 10.3156 7.46176 6.96053 5.13757 7.66153 8.8603 11.8896 numMergedOcc 0
101 mol 259 unq 4 iso 1 dist 6.20344 10.3156 7.46176 5.56656 7.88519 6.96053 5.13757 7.66153 11.8896 8.8603 numMergedOcc 0
102 mol 259 unq 5 iso 0 dist 6.20344 5.56656 7.88519 9.55719 9.18903 10.4881 10.4532 9.63573 7.20604 7.46841 numMergedOcc 0
103 mol 259 unq 5 iso 1 dist 6.20344 9.55719 9.18903 5.56656 7.88519 10.4881 10.4532 9.63573 7.46841 7.20604 numMergedOcc 0
104 mol 259 unq 6 iso 0 dist 6.20344 5.56656 7.88519 9.55719 9.18903 10.4881 5.13757 7.66153 8.8603 5.81576 numMergedOcc 0
105 mol 259 unq 6 iso 1 dist 6.20344 9.55719 9.18903 5.56656 7.88519 10.4881 5.13757 7.66153 5.81576 8.8603 numMergedOcc 0
106 mol 259 unq 3 iso 0 dist 6.20344 6.08432 7.84554 10.3156 7.46176 7.64658 10.4532 9.63573 5.05362 5.21606 numMergedOcc 0
107 mol 259 unq 3 iso 1 dist 6.20344 10.3156 7.46176 6.08432 7.84554 7.64658 10.4532 9.63573 5.21606 5.05362 numMergedOcc 0
108 mol 259 unq 4 iso 0 dist 6.20344 6.08432 7.84554 10.3156 7.46176 7.64658 5.13757 7.66153 5.8801 11.8896 numMergedOcc 0
109 mol 259 unq 4 iso 1 dist 6.20344 10.3156 7.46176 6.08432 7.84554 7.64658 5.13757 7.66153 11.8896 5.8801 numMergedOcc 0
110 mol 259 unq 5 iso 0 dist 6.20344 6.08432 7.84554 9.55719 9.18903 5.87173 10.4532 9.63573 5.05362 7.46841 numMergedOcc 0
111 mol 259 unq 5 iso 1 dist 6.20344 9.55719 9.18903 6.08432 7.84554 5.87173 10.4532 9.63573 7.46841 5.05362 numMergedOcc 0
112 mol 259 unq 6 iso 0 dist 6.20344 6.08432 7.84554 9.55719 9.18903 5.87173 5.13757 7.66153 5.8801 5.81576 numMergedOcc 0
113 mol 259 unq 6 iso 1 dist 6.20344 9.55719 9.18903 6.08432 7.84554 5.87173 5.13757 7.66153 5.81576 5.8801 numMergedOcc 0
114 mol 259 unq 5 iso 0 dist 6.20344 10.3156 7.46176 9.55719 9.18903 10.5239 10.4532 9.63573 5.21606 7.46841 numMergedOcc 0
115 mol 259 unq 5 iso 1 dist 6.20344 9.55719 9.18903 10.3156 7.46176 10.5239 10.4532 9.63573 7.46841 5.21606 numMergedOcc 0
116 mol 259 unq 6 iso 0 dist 6.20344 10.3156 7.46176 9.55719 9.18903 10.5239 5.13757 7.66153 11.8896 5.81576 numMergedOcc 0
117 mol 259 unq 6 iso 1 dist 6.20344 9.55719 9.18903 10.3156 7.46176 10.5239 5.13757 7.66153 5.81576 11.8896 numMergedOcc 0
