0 mol 7 unq 0 iso 0 dist 8.88982 13.9585 7.10621 16.991 9.67164 13.156 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 8.8576 10.4545 8.41585 5.33843 5.99459 6.88805 numMergedOcc 0
2 mol 14 unq 0 iso 0 dist 7.0208 10.5465 9.58196 5.8449 8.84686 5.76302 numMergedOcc 0
3 mol 14 unq 1 iso 0 dist 7.28563 12.3645 9.58196 8.29358 8.84686 5.76302 numMergedOcc 0
4 mol 18 unq 0 iso 0 dist 8.51213 11.0081 9.51761 5.34733 5.65084 12.6536 numMergedOcc 0
5 mol 18 unq 1 iso 0 dist 8.51213 11.3758 7.3094 5.34733 5.65084 9.36767 numMergedOcc 0
6 mol 24 unq 0 iso 0 dist 6.80849 13.9888 8.86116 6.08283 8.09311 11.6226 numMergedOcc 0
7 mol 24 unq 1 iso 0 dist 6.80849 13.9888 8.86116 6.99919 9.05357 13.1949 numMergedOcc 0
8 mol 24 unq 2 iso 0 dist 6.80849 10.1696 8.38394 6.08283 8.09311 6.17155 numMergedOcc 0
9 mol 24 unq 3 iso 0 dist 6.80849 10.1696 8.38394 6.99919 9.05357 10.3122 numMergedOcc 0
10 mol 25 unq 0 iso 0 dist 6.00307 7.95074 7.57578 3.8857 4.79873 10.2864 numMergedOcc 0
11 mol 25 unq 1 iso 0 dist 6.00307 7.95074 7.57578 11.2808 9.48085 5.18617 numMergedOcc 0
12 mol 25 unq 2 iso 0 dist 6.00307 10.3928 7.17969 3.8857 4.79873 11.4148 numMergedOcc 0
13 mol 25 unq 3 iso 0 dist 6.00307 10.3928 7.17969 11.2808 9.48085 5.68041 numMergedOcc 0
14 mol 43 unq 0 iso 0 dist 8.99509 8.14351 5.73819 11.0512 6.66407 5.07458 numMergedOcc 0
15 mol 58 unq 0 iso 0 dist 7.66055 5.76106 6.81627 3.73561 5.38524 5.61579 numMergedOcc 0
16 mol 60 unq 0 iso 0 dist 8.46609 4.72836 6.65595 12.2249 7.57295 7.80499 numMergedOcc 0
17 mol 60 unq 1 iso 0 dist 8.46609 9.1013 9.25011 12.2249 7.57295 5.6397 numMergedOcc 0
18 mol 60 unq 2 iso 0 dist 8.46609 12.4802 6.43294 12.2249 7.57295 8.62476 numMergedOcc 0
19 mol 60 unq 3 iso 0 dist 8.46609 11.7276 8.52121 12.2249 7.57295 6.55502 numMergedOcc 0
20 mol 76 unq 0 iso 0 dist 9.32453 8.18176 6.97941 5.22 9.6952 8.66662 numMergedOcc 0
21 mol 95 unq 0 iso 0 dist 8.13273 6.56354 9.03572 3.84897 8.27883 4.99174 numMergedOcc 0
22 mol 95 unq 1 iso 0 dist 8.13273 6.56354 9.03572 5.78182 5.75428 4.46005 numMergedOcc 0
23 mol 95 unq 2 iso 0 dist 8.13273 6.56354 9.03572 12.5746 8.57395 8.28518 numMergedOcc 0
24 mol 95 unq 3 iso 0 dist 8.13273 6.56354 9.03572 16.9294 9.85409 15.917 numMergedOcc 0
25 mol 95 unq 4 iso 0 dist 8.13273 6.68919 8.83255 3.84897 8.27883 8.67311 numMergedOcc 0
26 mol 95 unq 5 iso 0 dist 8.13273 6.68919 8.83255 5.78182 5.75428 3.94293 numMergedOcc 0
27 mol 95 unq 6 iso 0 dist 8.13273 6.68919 8.83255 12.5746 8.57395 9.22202 numMergedOcc 0
28 mol 95 unq 7 iso 0 dist 8.13273 6.68919 8.83255 16.9294 9.85409 13.7484 numMergedOcc 0
29 mol 95 unq 8 iso 0 dist 8.13273 14.1434 8.03644 3.84897 8.27883 15.6249 numMergedOcc 0
30 mol 95 unq 9 iso 0 dist 8.13273 14.1434 8.03644 5.78182 5.75428 12.4896 numMergedOcc 0
31 mol 95 unq 10 iso 0 dist 8.13273 14.1434 8.03644 12.5746 8.57395 14.2178 numMergedOcc 0
32 mol 95 unq 11 iso 0 dist 8.13273 14.1434 8.03644 16.9294 9.85409 8.78079 numMergedOcc 0
33 mol 113 unq 0 iso 0 dist 8.29529 7.77295 5.86073 7.05148 8.80934 5.70579 numMergedOcc 0
34 mol 115 unq 0 iso 0 dist 5.11612 10.3475 9.33865 3.85674 6.24825 6.95773 numMergedOcc 0
35 mol 115 unq 1 iso 0 dist 5.11612 6.86762 5.83991 3.85674 6.24825 6.01673 numMergedOcc 0
36 mol 115 unq 2 iso 0 dist 5.22628 10.0419 9.33865 3.82475 6.39384 6.63111 numMergedOcc 0
37 mol 115 unq 3 iso 0 dist 5.22628 6.8104 6.11741 3.82475 6.39384 6.07067 numMergedOcc 0
38 mol 122 unq 0 iso 0 dist 8.054 9.57532 8.37808 9.02961 6.00603 6.15636 numMergedOcc 0
39 mol 129 unq 0 iso 0 dist 6.47346 6.90896 5.83384 4.0844 5.58833 9.00231 numMergedOcc 0
40 mol 133 unq 0 iso 0 dist 8.29673 5.78974 7.24514 10.2739 8.26547 5.03174 numMergedOcc 0
41 mol 133 unq 1 iso 0 dist 8.29673 9.35671 8.22656 10.2739 8.26547 4.88025 numMergedOcc 0
42 mol 178 unq 0 iso 0 dist 7.14849 6.96904 6.69288 3.95924 9.11204 8.44333 numMergedOcc 0
43 mol 178 unq 1 iso 0 dist 7.14849 7.57303 6.43573 3.95924 9.11204 6.8202 numMergedOcc 0
44 mol 178 unq 2 iso 0 dist 7.14849 14.0459 7.17202 3.95924 9.11204 14.9499 numMergedOcc 0
45 mol 178 unq 3 iso 0 dist 7.14849 14.3001 8.81551 3.95924 9.11204 14.2467 numMergedOcc 0
46 mol 178 unq 4 iso 0 dist 5.41229 4.51874 6.69288 4.00111 7.06025 6.42973 numMergedOcc 0
47 mol 178 unq 5 iso 0 dist 8.63718 11.5509 6.69288 12.5927 9.11204 8.44333 numMergedOcc 0
48 mol 178 unq 6 iso 0 dist 8.63718 7.31401 6.43573 12.5927 9.11204 6.8202 numMergedOcc 0
49 mol 178 unq 7 iso 0 dist 8.63718 5.91018 7.17202 12.5927 9.11204 14.9499 numMergedOcc 0
50 mol 178 unq 8 iso 0 dist 8.63718 4.92895 8.81551 12.5927 9.11204 14.2467 numMergedOcc 0
51 mol 192 unq 0 iso 0 dist 6.44896 4.94984 5.59424 4.77116 9.78634 9.53265 numMergedOcc 0
52 mol 192 unq 1 iso 0 dist 6.44896 4.94984 5.59424 4.65378 5.64942 6.35474 numMergedOcc 0
53 mol 192 unq 2 iso 0 dist 6.44896 4.94984 5.59424 5.48435 7.43054 5.25965 numMergedOcc 0
54 mol 204 unq 0 iso 0 dist 6.20646 5.21426 7.10633 6.05253 7.9133 10.7169 numMergedOcc 0
55 mol 204 unq 1 iso 0 dist 6.20646 8.35604 8.51516 6.05253 7.9133 5.57347 numMergedOcc 0
56 mol 204 unq 2 iso 0 dist 6.73266 5.57112 7.10633 13.3588 7.9133 10.7169 numMergedOcc 0
57 mol 204 unq 3 iso 0 dist 6.73266 12.1292 8.51516 13.3588 7.9133 5.57347 numMergedOcc 0
58 mol 234 unq 0 iso 0 dist 8.9413 12.4455 9.45496 14.075 7.81215 12.4252 numMergedOcc 0
59 mol 234 unq 1 iso 0 dist 8.9413 14.0876 6.7625 14.075 7.81215 5.75498 numMergedOcc 0
60 mol 234 unq 2 iso 0 dist 4.91961 11.5103 9.45496 4.84686 7.81215 12.4252 numMergedOcc 0
61 mol 234 unq 3 iso 0 dist 4.91961 4.98993 6.7625 4.84686 7.81215 5.75498 numMergedOcc 0
62 mol 236 unq 0 iso 0 dist 5.99137 13.7629 9.81562 13.9834 9.3206 4.27181 numMergedOcc 0
63 mol 236 unq 1 iso 0 dist 5.99137 13.3575 7.68742 13.9834 9.3206 4.89609 numMergedOcc 0
64 mol 236 unq 2 iso 0 dist 5.99137 5.03598 6.27581 13.9834 9.3206 10.5774 numMergedOcc 0
65 mol 238 unq 0 iso 0 dist 5.99187 5.74685 6.22714 13.6867 9.08509 12.7938 numMergedOcc 0
66 mol 238 unq 1 iso 0 dist 5.99187 5.87189 7.31233 13.6867 9.08509 11.0772 numMergedOcc 0
67 mol 239 unq 0 iso 0 dist 6.92721 9.00069 6.16342 3.45727 6.73665 10.6736 numMergedOcc 0
68 mol 243 unq 0 iso 0 dist 8.69557 9.51148 8.23192 4.02386 7.10671 5.74165 numMergedOcc 0
69 mol 243 unq 1 iso 0 dist 8.69557 9.51148 8.23192 8.36019 8.67156 9.89868 numMergedOcc 0
70 mol 243 unq 2 iso 0 dist 4.89168 6.50608 8.23192 6.41173 7.10671 5.74165 numMergedOcc 0
71 mol 243 unq 3 iso 0 dist 4.89168 6.50608 8.23192 5.7044 8.67156 9.89868 numMergedOcc 0
72 mol 259 unq 0 iso 0 dist 5.29682 5.48552 8.53687 5.13757 9.07743 6.73882 numMergedOcc 0
73 mol 259 unq 1 iso 0 dist 5.29682 5.56656 8.13497 5.13757 9.07743 8.8603 numMergedOcc 0
74 mol 259 unq 2 iso 0 dist 6.20344 5.56656 7.88519 10.4532 9.63573 7.20604 numMergedOcc 0
75 mol 259 unq 3 iso 0 dist 6.20344 5.56656 7.88519 5.13757 7.66153 8.8603 numMergedOcc 0
76 mol 259 unq 4 iso 0 dist 6.20344 6.08432 7.84554 10.4532 9.63573 5.05362 numMergedOcc 0
77 mol 259 unq 5 iso 0 dist 6.20344 6.08432 7.84554 5.13757 7.66153 5.8801 numMergedOcc 0
78 mol 259 unq 6 iso 0 dist 6.20344 10.3156 7.46176 10.4532 9.63573 5.21606 numMergedOcc 0
79 mol 259 unq 7 iso 0 dist 6.20344 10.3156 7.46176 5.13757 7.66153 11.8896 numMergedOcc 0
80 mol 259 unq 8 iso 0 dist 6.20344 9.55719 9.18903 10.4532 9.63573 7.46841 numMergedOcc 0
81 mol 259 unq 9 iso 0 dist 6.20344 9.55719 9.18903 5.13757 7.66153 5.81576 numMergedOcc 0
82 mol 277 unq 0 iso 0 dist 9.64889 15.4648 9.7748 5.36788 9.35539 11.4555 numMergedOcc 0
83 mol 277 unq 1 iso 0 dist 9.64889 15.4648 9.7748 15.23 8.9682 17.6038 numMergedOcc 0
84 mol 277 unq 2 iso 0 dist 9.64889 15.4648 9.7748 15.0167 6.92711 14.772 numMergedOcc 0
85 mol 280 unq 0 iso 0 dist 9.0021 12.6862 6.53701 9.81388 6.02353 4.90315 numMergedOcc 0
