BN08DI
-OEChem-04012112563D
43 45 0 0 0 0 0 0 0999 V2000
5.3282 1.2066 0.0005 S 0 0 0 0 0 0 0 0 0 0 0 0
5.7130 1.8369 -1.2544 O 0 0 0 0 0 0 0 0 0 0 0 0
5.7407 1.8015 1.2644 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0223 0.7793 0.0002 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1601 2.9043 0.0187 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5582 0.5926 0.0016 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.5794 -0.3553 -0.0076 N 0 0 0 0 0 0 0 0 0 0 0 0
0.2000 -3.7622 1.2186 N 0 0 0 0 0 0 0 0 0 0 0 0
0.8169 0.7360 0.0014 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2834 -0.5751 -0.0093 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5916 1.0251 0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4691 1.6207 0.0111 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5117 0.7983 1.2091 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5092 0.8183 -1.2068 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8991 0.9430 1.2088 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8967 0.9627 -1.2071 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7020 1.0117 0.0051 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6707 -1.8867 -0.0214 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9465 -0.4610 -0.0133 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3705 -2.5182 -1.2187 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9710 1.6730 0.0091 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3716 -2.5385 1.1595 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2180 -3.7779 -1.1988 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4808 -4.3515 0.0347 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3462 1.3256 0.0024 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.3481 0.1906 -0.0085 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1675 2.6601 0.0202 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9859 0.7337 2.1588 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9814 0.7691 -2.1562 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4210 0.9827 2.1608 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4158 1.0172 -2.1598 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5898 -0.9645 -0.9138 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0378 -0.4178 -0.0186 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5986 -0.9766 0.8838 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5867 -2.0458 -2.1734 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5836 -2.0933 2.1271 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4637 -4.2941 -2.1197 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9392 -5.3325 0.1046 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4859 1.9359 0.9012 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4828 1.9503 -0.8871 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.3725 0.5732 -0.0071 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2068 -0.4395 -0.8927 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2097 -0.4536 0.8661 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 11 1 0 0 0 0
1 19 1 0 0 0 0
4 21 1 0 0 0 0
4 25 1 0 0 0 0
5 21 2 0 0 0 0
6 9 1 0 0 0 0
6 10 1 0 0 0 0
6 12 1 0 0 0 0
7 10 2 0 0 0 0
7 17 1 0 0 0 0
8 22 1 0 0 0 0
8 24 2 0 0 0 0
9 13 2 0 0 0 0
9 14 1 0 0 0 0
10 18 1 0 0 0 0
11 15 2 0 0 0 0
11 16 1 0 0 0 0
12 17 2 0 0 0 0
12 27 1 0 0 0 0
13 15 1 0 0 0 0
13 28 1 0 0 0 0
14 16 2 0 0 0 0
14 29 1 0 0 0 0
15 30 1 0 0 0 0
16 31 1 0 0 0 0
17 21 1 0 0 0 0
18 20 1 0 0 0 0
18 22 2 0 0 0 0
19 32 1 0 0 0 0
19 33 1 0 0 0 0
19 34 1 0 0 0 0
20 23 2 0 0 0 0
20 35 1 0 0 0 0
22 36 1 0 0 0 0
23 24 1 0 0 0 0
23 37 1 0 0 0 0
24 38 1 0 0 0 0
25 26 1 0 0 0 0
25 39 1 0 0 0 0
25 40 1 0 0 0 0
26 41 1 0 0 0 0
26 42 1 0 0 0 0
26 43 1 0 0 0 0
M END
$$$$