Mol:
0 0 0 0 0 0 0 0 0 0 0
6.7983 12.5600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4386 10.2050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.0790 9.4200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7193 10.2050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7193 11.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3597 9.4200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0790 7.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7193 7.0650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4386 7.0650 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.7983 7.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7983 9.4200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4386 10.2050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1580 10.2050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1580 7.0650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5176 7.8500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.1580 5.4950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.7983 4.7100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7983 3.1400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1580 2.3550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1580 0.7850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5176 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.7983 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4386 5.4950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0790 4.7100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4386 7.0650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
17.5861 4.5722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
17.1009 3.0790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.5309 3.0790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
3 5 1 0 0 0 0
5 6 1 0 0 0 0
6 7 1 0 0 0 0
7 8 1 0 0 0 0
7 9 1 0 0 0 0
6 10 1 0 0 0 0
10 11 2 0 0 0 0
10 12 1 0 0 0 0
12 13 1 0 0 0 0
13 14 1 0 0 0 0
14 15 1 0 0 0 0
15 16 1 0 0 0 0
16 17 1 0 0 0 0
17 18 1 0 0 0 0
13 19 1 0 0 0 0
19 20 2 0 0 0 0
19 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
22 24 1 0 0 0 0
24 25 2 0 0 0 0
24 26 1 0 0 0 0
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27 28 1 0 0 0 0
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29 30 1 0 0 0 0
30 31 1 0 0 0 0
31 32 1 0 0 0 0
27 33 1 0 0 0 0
33 34 2 0 0 0 0
33 35 1 0 0 0 0
35 36 1 0 0 0 0
36 37 1 0 0 0 0
37 38 1 0 0 0 0
38 39 1 0 0 0 0
39 40 1 0 0 0 0
40 41 1 0 0 0 0
41 42 1 0 0 0 0
41 43 2 0 0 0 0
36 44 1 0 0 0 0
44 45 2 0 0 0 0
44 46 1 0 0 0 0
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48 49 1 0 0 0 0
49 50 1 0 0 0 0
50 51 1 0 0 0 0
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52 54 2 0 0 0 0
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55 56 2 0 0 0 0
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59 60 1 0 0 0 0
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58 62 1 0 0 0 0
62 63 2 0 0 0 0
62 64 1 0 0 0 0
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65 66 1 0 0 0 0
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66 68 1 0 0 0 0
65 69 1 0 0 0 0
69 70 2 0 0 0 0
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72 73 1 0 0 0 0
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74 75 1 0 0 0 0
75 76 1 0 0 0 0
75 77 2 0 0 0 0
72 78 1 0 0 0 0
78 79 2 0 0 0 0
78 80 1 0 0 0 0
2 81 1 0 0 0 0
81 82 1 0 0 0 0
82 83 1 0 0 0 0
83 1 1 0 0 0 0
M END
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