BX29JL
-OEChem-04022106342D
51 55 0 0 0 0 0 0 0999 V2000
2.0000 0.8475 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
8.9875 -0.2253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1753 2.5794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7112 -4.4206 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0
2.8452 -2.9206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3092 1.0794 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3092 0.0794 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.6636 1.4862 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.4727 0.0849 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.5711 0.5794 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.4945 -0.1230 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7112 -3.4206 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0
7.1753 -0.4206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4432 1.5794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0413 1.0794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0413 0.0794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1753 -1.4206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1753 1.5794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5772 1.0794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9875 1.3841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3092 -1.9206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4557 2.4643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9945 0.7430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2982 2.3347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3092 -2.9206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4432 -1.4206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1989 3.1334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5047 2.7733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4432 -3.4206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5772 -1.9206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5772 -2.9206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9910 4.1116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2968 3.7515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0399 4.4206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8418 2.0544 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0447 2.0544 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3873 -2.0032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7859 -1.3129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8875 2.1420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4908 2.9240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7089 2.5273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8462 -3.2306 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4432 -0.8006 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2424 -0.6894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7885 2.9418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0439 2.3584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4432 -4.0406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0403 -1.6106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4517 4.5264 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7071 3.9430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9110 5.0270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 23 2 0 0 0 0
2 10 1 0 0 0 0
2 16 1 0 0 0 0
3 18 2 0 0 0 0
4 12 1 0 0 0 0
5 12 2 0 0 0 0
6 7 1 0 0 0 0
6 14 1 0 0 0 0
6 18 1 0 0 0 0
7 13 2 0 0 0 0
8 19 1 0 0 0 0
8 22 1 0 0 0 0
8 23 1 0 0 0 0
9 11 1 0 0 0 0
9 19 2 0 0 0 0
10 20 2 0 0 0 0
11 23 1 0 0 0 0
11 44 1 0 0 0 0
12 31 1 0 0 0 0
13 16 1 0 0 0 0
13 17 1 0 0 0 0
14 19 1 0 0 0 0
14 35 1 0 0 0 0
14 36 1 0 0 0 0
15 16 2 0 0 0 0
15 18 1 0 0 0 0
15 20 1 0 0 0 0
17 21 1 0 0 0 0
17 37 1 0 0 0 0
17 38 1 0 0 0 0
20 24 1 0 0 0 0
21 25 2 0 0 0 0
21 26 1 0 0 0 0
22 27 2 0 0 0 0
22 28 1 0 0 0 0
24 39 1 0 0 0 0
24 40 1 0 0 0 0
24 41 1 0 0 0 0
25 29 1 0 0 0 0
25 42 1 0 0 0 0
26 30 2 0 0 0 0
26 43 1 0 0 0 0
27 32 1 0 0 0 0
27 45 1 0 0 0 0
28 33 2 0 0 0 0
28 46 1 0 0 0 0
29 31 2 0 0 0 0
29 47 1 0 0 0 0
30 31 1 0 0 0 0
30 48 1 0 0 0 0
32 34 2 0 0 0 0
32 49 1 0 0 0 0
33 34 1 0 0 0 0
33 50 1 0 0 0 0
34 51 1 0 0 0 0
M CHG 2 4 -1 12 1
M END
$$$$