BQV4B2
-OEChem-04022107092D
53 55 0 1 0 0 0 0 0999 V2000
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4.3407 4.9427 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
5.5268 4.1725 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
3.5705 3.7567 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
4.0134 2.3173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9487 -1.6905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9487 0.0415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.3037 -0.0693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.5766 -1.8245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5827 -0.3245 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0
7.9930 -2.6292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.4782 0.6700 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.5000 0.8779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6691 -0.7312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.0119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2213 1.3391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3147 -1.3245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 -0.8245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0468 -1.3245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3147 -2.3245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0468 -2.3245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 -2.8245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3037 -3.5798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7565 2.9864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9930 -1.0198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5766 -1.8245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2822 -3.7860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5928 -4.7365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5486 3.9646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.5713 -4.9427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0570 0.4478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6916 1.4676 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9336 1.1301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1675 -1.0957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9791 -1.2682 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4984 0.3763 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5851 -0.4488 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5498 0.8134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7962 1.5714 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 -0.2045 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7778 -2.6345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 -3.4445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6898 -3.6671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2831 -4.1994 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0851 2.4606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3314 3.2187 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8960 -3.6986 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3027 -3.1663 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9790 -4.8238 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5723 -5.3562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.4435 -5.5494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.1780 -5.0706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.6992 -4.3360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 6 2 0 0 0 0
1 7 2 0 0 0 0
1 10 1 0 0 0 0
1 17 1 0 0 0 0
2 29 1 0 0 0 0
3 29 1 0 0 0 0
4 29 1 0 0 0 0
5 16 1 0 0 0 0
5 24 1 0 0 0 0
8 25 2 0 0 0 0
9 26 2 0 0 0 0
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12 16 1 1 0 0 0
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14 15 1 0 0 0 0
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14 35 1 0 0 0 0
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16 38 1 0 0 0 0
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17 18 2 0 0 0 0
17 20 1 0 0 0 0
18 19 1 0 0 0 0
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19 21 2 0 0 0 0
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20 22 2 0 0 0 0
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21 22 1 0 0 0 0
22 42 1 0 0 0 0
23 27 1 0 0 0 0
23 43 1 0 0 0 0
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24 29 1 0 0 0 0
24 45 1 0 0 0 0
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25 26 1 0 0 0 0
27 28 1 0 0 0 0
27 47 1 0 0 0 0
27 48 1 0 0 0 0
28 30 1 0 0 0 0
28 49 1 0 0 0 0
28 50 1 0 0 0 0
30 51 1 0 0 0 0
30 52 1 0 0 0 0
30 53 1 0 0 0 0
M END
$$$$