BB3CH0
-OEChem-04012116142D
64 67 0 1 0 0 0 0 0999 V2000
5.9213 1.5755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.7863 -1.6955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0564 -1.6955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
15.0203 -1.7559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4166 0.6629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.4260 0.6629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4766 2.9099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
13.0624 -2.1641 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.7720 -1.0810 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.4213 0.0366 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
5.4213 0.0366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7304 0.9877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1063 -0.7481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1123 0.9877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1123 -0.9144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1268 -0.5394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7364 -0.7481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7458 1.2199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0969 1.2199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4487 0.4512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7158 -0.5394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7931 -1.2851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.0835 -2.3683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3940 0.4512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.4172 -1.6226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.4383 -1.8267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.3751 -1.2143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.7287 -2.9099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.3540 -1.0101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.7076 -2.7057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7989 2.1745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0496 -1.2851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4804 -2.2350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8232 2.3937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5227 -0.7228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9207 -1.5041 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7020 -1.1060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9305 1.8118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.5564 -2.6948 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.3135 -2.9440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.9443 -1.2960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.1872 -1.0468 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.9112 -2.1532 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.6683 -2.4024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.3559 -0.5946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.7615 -1.1256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.2016 -3.2364 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.9587 -3.4856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.9659 -0.4921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
14.8811 -0.6836 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
14.1240 -0.4344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
14.7269 -3.3254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
15.3213 -2.7944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5872 -0.8720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6365 -1.7475 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5119 -1.6982 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8915 -2.0411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2865 -2.8239 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0693 -2.4288 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6468 -2.1610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.2038 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9591 2.9986 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2183 2.5296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6873 1.7888 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 12 1 0 0 0 0
1 14 1 0 0 0 0
2 13 2 0 0 0 0
3 17 1 0 0 0 0
3 60 1 0 0 0 0
4 29 1 0 0 0 0
4 30 1 0 0 0 0
5 24 1 0 0 0 0
5 61 1 0 0 0 0
6 20 2 0 0 0 0
7 31 2 0 0 0 0
8 23 1 0 0 0 0
8 27 1 0 0 0 0
8 28 1 0 0 0 0
9 22 1 0 0 0 0
9 26 1 0 0 0 0
9 49 1 0 0 0 0
10 11 1 0 0 0 0
10 12 1 0 0 0 0
10 13 1 0 0 0 0
10 15 1 0 0 0 0
11 14 1 0 0 0 0
11 17 2 0 0 0 0
12 18 2 0 0 0 0
13 16 1 0 0 0 0
14 19 2 0 0 0 0
15 35 1 0 0 0 0
15 36 1 0 0 0 0
15 37 1 0 0 0 0
16 20 1 0 0 0 0
16 22 2 0 0 0 0
17 21 1 0 0 0 0
18 20 1 0 0 0 0
18 38 1 0 0 0 0
19 24 1 0 0 0 0
19 31 1 0 0 0 0
21 24 2 0 0 0 0
21 32 1 0 0 0 0
22 33 1 0 0 0 0
23 25 1 0 0 0 0
23 39 1 0 0 0 0
23 40 1 0 0 0 0
25 26 1 0 0 0 0
25 41 1 0 0 0 0
25 42 1 0 0 0 0
26 43 1 0 0 0 0
26 44 1 0 0 0 0
27 29 1 0 0 0 0
27 45 1 0 0 0 0
27 46 1 0 0 0 0
28 30 1 0 0 0 0
28 47 1 0 0 0 0
28 48 1 0 0 0 0
29 50 1 0 0 0 0
29 51 1 0 0 0 0
30 52 1 0 0 0 0
30 53 1 0 0 0 0
31 34 1 0 0 0 0
32 54 1 0 0 0 0
32 55 1 0 0 0 0
32 56 1 0 0 0 0
33 57 1 0 0 0 0
33 58 1 0 0 0 0
33 59 1 0 0 0 0
34 62 1 0 0 0 0
34 63 1 0 0 0 0
34 64 1 0 0 0 0
M END
$$$$