B39GBL
-OEChem-04012115203D
47 50 0 0 0 0 0 0 0999 V2000
-5.3726 1.8611 -0.0825 S 0 0 0 0 0 0 0 0 0 0 0 0
-5.4967 3.2047 0.4703 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.9753 1.5773 -1.3793 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5078 -1.0978 -2.0307 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4028 0.5373 -0.3443 N 0 0 0 0 0 0 0 0 0 0 0 0
-5.9680 0.7445 1.0869 N 0 0 0 0 0 0 0 0 0 0 0 0
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4.6234 -1.2066 -1.4391 N 0 0 0 0 0 0 0 0 0 0 0 0
7.8582 -0.3992 1.4023 N 0 0 0 0 0 0 0 0 0 0 0 0
6.2959 -2.1084 0.9150 N 0 0 0 0 0 0 0 0 0 0 0 0
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-6.2435 -1.2580 -0.1484 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.6726 1.4714 -0.1594 C 0 0 0 0 0 0 0 0 0 0 0 0
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2.5148 -0.4735 -1.0339 C 0 0 0 0 0 0 0 0 0 0 0 0
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4.6343 -0.2736 -0.4834 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3486 0.2187 -0.1898 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0387 -0.3858 -1.1850 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8715 0.1318 0.1309 C 0 0 0 0 0 0 0 0 0 0 0 0
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6.2741 1.4598 0.0425 C 0 0 0 0 0 0 0 0 0 0 0 0
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7.4678 1.8593 0.6331 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2167 0.8999 1.2954 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5769 -2.5170 1.6086 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9396 -2.5651 -0.2881 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1044 -3.2537 0.5678 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1037 2.8573 1.4075 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9017 0.0016 -1.7358 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7207 2.3124 1.2930 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5843 -0.5458 -1.8569 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9823 1.0587 0.3078 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0814 0.9718 0.5379 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8748 1.0496 2.0645 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0506 -1.9662 -2.4721 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6744 2.1980 -0.4846 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8020 2.8889 0.5763 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1556 1.1604 1.7728 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3074 -2.3255 0.9446 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9243 -2.7243 1.4169 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9092 -2.9723 2.3323 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4010 -3.0601 -1.1358 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8775 -4.3025 0.4313 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
1 3 2 0 0 0 0
1 6 1 0 0 0 0
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31 47 1 0 0 0 0
M END
$$$$