B4A8KI
-OEChem-04012113333D
38 40 0 0 0 0 0 0 0999 V2000
4.6950 -0.3881 0.0424 S 0 0 0 0 0 0 0 0 0 0 0 0
-3.9073 -2.9611 -0.1079 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8891 1.0473 -0.0104 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0890 -1.1754 1.1938 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1960 -0.9528 -0.0243 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.7414 -2.1805 -0.0646 N 0 0 0 0 0 0 0 0 0 0 0 0
5.3398 -1.0953 -1.3692 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.1122 0.0594 -0.0028 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1938 -0.8191 -0.0081 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7810 1.4628 0.0425 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3433 -0.5525 -0.0317 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9570 -0.5545 0.0230 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7793 0.3049 -0.5741 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9693 -1.8128 0.5733 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1678 0.4378 -0.5585 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3577 -1.6798 0.5889 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0532 -1.9296 -0.0689 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6308 2.1055 1.2714 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6120 2.1773 -1.1434 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3117 3.4627 1.3144 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2927 3.5344 -1.1005 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1426 4.1771 0.1284 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3136 -2.6676 -0.1138 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3056 -0.0603 -0.0260 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2869 1.0179 -1.2015 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5316 -2.6964 1.0302 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6124 1.2987 -1.0503 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9478 -2.4722 1.0404 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7586 1.5626 2.2049 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7446 1.6981 -2.1112 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1946 3.9632 2.2711 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1651 4.0918 -2.0239 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8949 5.2340 0.1618 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8583 -1.9765 -1.2687 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7228 -0.4675 -2.0865 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5813 -2.0864 -1.0019 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5998 -2.1393 0.8012 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8534 -3.6182 -0.1472 H 0 0 0 0 0 0 0 0 0 0 0 0
1 3 2 0 0 0 0
1 4 2 0 0 0 0
1 7 1 0 0 0 0
1 12 1 0 0 0 0
2 17 1 0 0 0 0
2 23 1 0 0 0 0
5 6 1 0 0 0 0
5 8 1 0 0 0 0
5 9 1 0 0 0 0
6 17 2 0 0 0 0
7 34 1 0 0 0 0
7 35 1 0 0 0 0
8 10 1 0 0 0 0
8 11 2 0 0 0 0
9 13 2 0 0 0 0
9 14 1 0 0 0 0
10 18 2 0 0 0 0
10 19 1 0 0 0 0
11 17 1 0 0 0 0
11 24 1 0 0 0 0
12 15 2 0 0 0 0
12 16 1 0 0 0 0
13 15 1 0 0 0 0
13 25 1 0 0 0 0
14 16 2 0 0 0 0
14 26 1 0 0 0 0
15 27 1 0 0 0 0
16 28 1 0 0 0 0
18 20 1 0 0 0 0
18 29 1 0 0 0 0
19 21 2 0 0 0 0
19 30 1 0 0 0 0
20 22 2 0 0 0 0
20 31 1 0 0 0 0
21 22 1 0 0 0 0
21 32 1 0 0 0 0
22 33 1 0 0 0 0
23 36 1 0 0 0 0
23 37 1 0 0 0 0
23 38 1 0 0 0 0
M END
$$$$