BKA71V
-OEChem-04022109123D
42 42 0 1 0 0 0 0 0999 V2000
-4.2963 -0.8583 0.5644 N 0 0 0 0 0 0 0 0 0 0 0 0
0.4583 2.0167 2.3702 N 0 0 0 0 0 0 0 0 0 0 0 0
0.4369 0.9526 -0.0595 C 0 0 1 0 0 0 0 0 0 0 0 0
1.2887 1.8901 -1.0171 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0617 0.9275 -0.5305 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0197 -0.4796 -0.1080 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9980 0.0327 0.3084 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7961 3.3466 -1.0778 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3941 1.3522 -2.4568 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9905 -0.8323 0.7891 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4232 -0.0220 -0.2502 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4511 1.5424 1.3104 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5194 -1.3244 -1.0630 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5013 -2.1288 0.7277 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5201 0.1075 1.8220 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0302 -2.6209 -1.1244 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0213 -3.0231 -0.2290 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6483 -0.8788 0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3162 1.9321 -0.6295 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4695 1.9454 -0.4496 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1747 0.6803 -1.5900 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6200 -0.9916 0.3803 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0395 0.4173 1.3352 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1821 3.4252 -1.5623 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4952 3.9588 -1.6592 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7282 3.7985 -0.0842 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9463 0.4103 -2.5069 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9580 2.0592 -3.0775 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4187 1.2249 -2.9331 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3844 -0.4164 -1.2731 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8227 0.9984 -0.3027 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2231 -1.0650 -1.8049 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2719 -2.4598 1.4190 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7853 1.0977 1.4441 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9139 0.0975 2.7314 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4959 -0.2720 2.1616 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6621 -3.3158 -1.8737 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3188 -0.5008 1.5190 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4197 -4.0323 -0.2777 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6640 -1.2891 -0.9910 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0928 0.1218 0.0133 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2796 -1.5201 0.6470 H 0 0 0 0 0 0 0 0 0 0 0 0
1 11 1 0 0 0 0
1 18 1 0 0 0 0
1 38 1 0 0 0 0
2 12 3 0 0 0 0
3 4 1 0 0 0 0
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3 12 1 0 0 0 0
4 8 1 0 0 0 0
4 9 1 0 0 0 0
4 19 1 0 0 0 0
5 7 1 0 0 0 0
5 20 1 0 0 0 0
5 21 1 0 0 0 0
6 10 1 0 0 0 0
6 13 2 0 0 0 0
7 11 1 0 0 0 0
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8 24 1 0 0 0 0
8 25 1 0 0 0 0
8 26 1 0 0 0 0
9 27 1 0 0 0 0
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10 14 2 0 0 0 0
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11 30 1 0 0 0 0
11 31 1 0 0 0 0
13 16 1 0 0 0 0
13 32 1 0 0 0 0
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15 35 1 0 0 0 0
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16 17 2 0 0 0 0
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18 40 1 0 0 0 0
18 41 1 0 0 0 0
18 42 1 0 0 0 0
M END
$$$$