B8SDR0
-OEChem-04022109493D
50 54 0 0 0 0 0 0 0999 V2000
-1.3635 1.0255 -0.4903 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9174 2.4500 -0.4877 N 0 0 0 0 0 0 0 0 0 0 0 0
6.2386 2.3678 -0.2560 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.1176 -0.3585 0.6014 N 0 0 0 0 0 0 0 0 0 0 0 0
3.0440 -3.7722 -0.9726 N 0 0 0 0 0 0 0 0 0 0 0 0
5.1155 0.6033 0.6618 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1998 1.4176 0.0410 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8698 -0.6531 1.3908 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7676 1.3156 -0.0957 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2258 -1.7531 0.5571 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3536 1.2377 0.4465 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9586 1.2890 1.0404 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1914 1.2442 -1.3640 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0026 1.1191 -0.3602 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5736 1.1907 0.9081 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8064 1.1458 -1.4963 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1221 1.0070 0.7122 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5699 0.8588 0.3819 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2154 0.5159 -0.2001 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4220 -0.5305 0.3154 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0421 -2.3474 0.9805 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8192 -2.1672 -0.6302 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2644 1.9412 -0.1188 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6082 1.7610 -0.4126 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.5740 0.3009 -0.4874 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0258 -1.7672 0.5262 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4965 -3.3434 0.1868 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1941 -3.1713 -1.3520 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.1519 -0.9460 -0.2669 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.3765 -1.9811 0.2407 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8124 -1.0537 1.7871 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2495 -0.4405 2.2709 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3364 0.9259 0.7706 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5744 3.2429 -1.0161 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3893 1.3504 2.0371 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8059 1.2596 -2.2610 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0083 1.1798 1.8335 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3629 1.0898 -2.4866 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9889 1.9386 1.2777 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8300 0.1520 1.3361 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5507 -2.0502 1.9005 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7457 -1.7334 -0.9901 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7895 2.9024 -0.2820 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1798 2.5973 -0.8086 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.1900 1.1045 -0.8851 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4399 -2.5944 0.9229 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5739 -3.8381 0.4723 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6172 -3.5311 -2.2841 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.2019 -1.1083 -0.4901 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.8191 -2.9573 0.4158 H 0 0 0 0 0 0 0 0 0 0 0 0
1 14 1 0 0 0 0
1 17 1 0 0 0 0
2 3 1 0 0 0 0
2 7 1 0 0 0 0
2 34 1 0 0 0 0
3 11 2 0 0 0 0
4 18 2 0 0 0 0
4 20 1 0 0 0 0
5 27 2 0 0 0 0
5 28 1 0 0 0 0
6 7 2 0 0 0 0
6 8 1 0 0 0 0
6 11 1 0 0 0 0
7 9 1 0 0 0 0
8 10 1 0 0 0 0
8 31 1 0 0 0 0
8 32 1 0 0 0 0
9 12 2 0 0 0 0
9 13 1 0 0 0 0
10 21 2 0 0 0 0
10 22 1 0 0 0 0
11 33 1 0 0 0 0
12 15 1 0 0 0 0
12 35 1 0 0 0 0
13 16 2 0 0 0 0
13 36 1 0 0 0 0
14 15 2 0 0 0 0
14 16 1 0 0 0 0
15 37 1 0 0 0 0
16 38 1 0 0 0 0
17 18 1 0 0 0 0
17 39 1 0 0 0 0
17 40 1 0 0 0 0
18 23 1 0 0 0 0
19 20 1 0 0 0 0
19 24 1 0 0 0 0
19 25 2 0 0 0 0
20 26 2 0 0 0 0
21 27 1 0 0 0 0
21 41 1 0 0 0 0
22 28 2 0 0 0 0
22 42 1 0 0 0 0
23 24 2 0 0 0 0
23 43 1 0 0 0 0
24 44 1 0 0 0 0
25 29 1 0 0 0 0
25 45 1 0 0 0 0
26 30 1 0 0 0 0
26 46 1 0 0 0 0
27 47 1 0 0 0 0
28 48 1 0 0 0 0
29 30 2 0 0 0 0
29 49 1 0 0 0 0
30 50 1 0 0 0 0
M END
$$$$