BJV05P
-OEChem-04022104173D
29 29 0 1 0 0 0 0 0999 V2000
-0.9270 2.2201 -0.6428 S 0 0 0 0 0 0 0 0 0 0 0 0
0.4651 1.0032 0.3690 P 0 0 1 0 0 0 0 0 0 0 0 0
1.8822 1.1016 -0.4268 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5980 1.4804 1.7936 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0905 -0.6597 0.1436 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2398 -1.1772 -1.1430 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3798 -1.4544 1.2529 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5171 1.8983 0.1459 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0522 0.5999 0.1971 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6782 -2.4894 -1.3204 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8183 -2.7668 1.0755 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9674 -3.2842 -0.2111 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6106 2.7255 -0.5028 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2313 0.8027 -0.7306 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0113 -0.5692 -2.0135 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2674 -1.0618 2.2590 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7553 0.8343 0.0574 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4424 2.1412 1.2101 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2192 1.1348 1.1371 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9202 -0.4644 0.4146 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7930 -2.8929 -2.3222 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0435 -3.3856 1.9392 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3085 -4.3060 -0.3494 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4132 3.7988 -0.4085 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7220 2.4834 -1.5652 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5699 2.5221 -0.0153 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0667 0.2849 -1.6814 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3595 1.8647 -0.9648 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1533 0.4267 -0.2787 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
1 8 1 0 0 0 0
2 3 1 0 0 0 0
2 4 2 0 0 0 0
2 5 1 0 0 0 0
3 9 1 0 0 0 0
5 6 2 0 0 0 0
5 7 1 0 0 0 0
6 10 1 0 0 0 0
6 15 1 0 0 0 0
7 11 2 0 0 0 0
7 16 1 0 0 0 0
8 13 1 0 0 0 0
8 17 1 0 0 0 0
8 18 1 0 0 0 0
9 14 1 0 0 0 0
9 19 1 0 0 0 0
9 20 1 0 0 0 0
10 12 2 0 0 0 0
10 21 1 0 0 0 0
11 12 1 0 0 0 0
11 22 1 0 0 0 0
12 23 1 0 0 0 0
13 24 1 0 0 0 0
13 25 1 0 0 0 0
13 26 1 0 0 0 0
14 27 1 0 0 0 0
14 28 1 0 0 0 0
14 29 1 0 0 0 0
M END
$$$$