BC69PA
-OEChem-04022101432D
40 44 0 1 0 0 0 0 0999 V2000
3.1030 -0.7880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9980 0.8901 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.4928 -1.7254 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.5490 -0.8166 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.9912 1.6387 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
7.2500 2.6047 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
6.5134 3.5873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8988 -2.5897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7701 0.7731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2167 2.2935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -3.0281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8290 -3.5873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2628 0.8441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9411 1.3323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6816 2.4070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0400 1.4734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4580 -1.7607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7135 -0.2670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7808 -0.7308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9173 -0.1484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.0059 1.2146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4935 2.0022 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2545 1.9847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8312 4.1196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9002 3.6792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4850 -2.7916 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2117 2.9135 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6024 2.3773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6356 -2.5265 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5693 -3.4741 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5769 -4.1537 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4306 -3.7373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8783 0.3578 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7038 0.4083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0670 2.8927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8454 0.6157 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.6048 1.0541 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.1664 1.8135 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5129 -1.4355 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1030 -0.5384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 17 1 0 0 0 0
1 20 1 0 0 0 0
2 14 1 0 0 0 0
2 20 2 0 0 0 0
3 17 2 0 0 0 0
3 19 1 0 0 0 0
4 18 1 0 0 0 0
4 39 1 0 0 0 0
4 40 1 0 0 0 0
5 7 1 0 0 0 0
5 9 1 0 0 0 0
5 13 1 0 0 0 0
5 22 1 0 0 0 0
6 7 1 0 0 0 0
6 10 1 0 0 0 0
6 15 1 0 0 0 0
6 23 1 0 0 0 0
7 24 1 0 0 0 0
7 25 1 0 0 0 0
8 11 1 0 0 0 0
8 12 1 0 0 0 0
8 17 1 0 0 0 0
8 26 1 0 0 0 0
9 14 2 0 0 0 0
9 18 1 0 0 0 0
10 14 1 0 0 0 0
10 27 1 0 0 0 0
10 28 1 0 0 0 0
11 12 1 0 0 0 0
11 29 1 0 0 0 0
11 30 1 0 0 0 0
12 31 1 0 0 0 0
12 32 1 0 0 0 0
13 16 1 0 0 0 0
13 33 1 0 0 0 0
13 34 1 0 0 0 0
15 16 2 0 0 0 0
15 35 1 0 0 0 0
16 21 1 0 0 0 0
18 19 2 0 0 0 0
19 20 1 0 0 0 0
21 36 1 0 0 0 0
21 37 1 0 0 0 0
21 38 1 0 0 0 0
M END
$$$$