B6VPJ1
-OEChem-04022105523D
23 24 0 0 0 0 0 0 0999 V2000
3.4753 -0.1009 -1.3660 S 0 0 0 0 0 0 0 0 0 0 0 0
1.0168 0.1604 1.5517 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4024 0.7962 0.1973 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6921 1.0786 0.4561 O 0 5 0 0 0 0 0 0 0 0 0 0
-3.2087 2.2920 -0.6147 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2642 0.5566 1.0960 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.5630 1.2167 -0.0738 N 0 3 0 0 0 0 0 0 0 0 0 0
-0.5097 -0.8241 -0.6302 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8050 -0.6903 -1.2378 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9263 -0.2527 -0.6289 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3977 0.2515 -0.6433 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8822 -2.0289 -0.0339 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6582 0.1224 -0.0603 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9737 0.1661 0.7918 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1426 -2.1581 0.5493 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0307 -1.0823 0.5361 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2214 0.4968 0.1105 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8439 -0.9832 -2.2854 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0877 1.1825 -1.1138 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2011 -2.8763 -0.0154 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4323 -3.0962 1.0136 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0042 -1.2195 1.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5001 0.8795 2.0287 H 0 0 0 0 0 0 0 0 0 0 0 0
1 10 1 0 0 0 0
1 17 1 0 0 0 0
2 14 2 0 0 0 0
3 17 2 0 0 0 0
4 7 1 0 0 0 0
5 7 2 0 0 0 0
6 14 1 0 0 0 0
6 17 1 0 0 0 0
6 23 1 0 0 0 0
7 13 1 0 0 0 0
8 9 1 0 0 0 0
8 11 2 0 0 0 0
8 12 1 0 0 0 0
9 10 2 0 0 0 0
9 18 1 0 0 0 0
10 14 1 0 0 0 0
11 13 1 0 0 0 0
11 19 1 0 0 0 0
12 15 2 0 0 0 0
12 20 1 0 0 0 0
13 16 2 0 0 0 0
15 16 1 0 0 0 0
15 21 1 0 0 0 0
16 22 1 0 0 0 0
M CHG 2 4 -1 7 1
M END
$$$$