B0OHU9
-OEChem-04012114252D
53 57 0 0 0 0 0 0 0999 V2000
7.9392 4.0844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.5280 -0.2551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7132 -4.0668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6048 -3.6683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.8111 -4.2923 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0
10.1647 -2.5967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.8808 -0.7903 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.6010 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.4984 -3.3424 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0
5.5717 0.1607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2409 0.9039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2116 -1.5335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9318 1.8549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5206 -2.4845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2175 -1.5361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2920 3.5491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5791 2.3902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4988 -2.6924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8589 -0.9982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1679 -1.9493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9112 -2.4818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7149 -3.0668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9611 4.2923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2482 3.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5360 -0.7566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8054 -3.6879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9020 -2.7135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1900 -2.1501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5195 -3.1383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8225 -3.9124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5217 -0.9649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2025 -1.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1900 0.6493 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0243 -0.1303 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6226 0.4153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7883 1.1949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5501 2.3435 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3844 1.5638 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9102 4.0377 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7445 3.2580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3469 1.8153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1049 2.0616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1933 4.8671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4353 4.6208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6300 2.6447 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7957 3.4244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7338 -0.1690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3852 -4.1439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5995 -1.6846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0118 -4.5027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1082 -0.5029 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5967 -2.0817 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -3.8048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 23 1 0 0 0 0
1 24 1 0 0 0 0
2 19 2 0 0 0 0
3 22 2 0 0 0 0
4 27 1 0 0 0 0
4 53 1 0 0 0 0
5 9 1 0 0 0 0
6 9 2 0 0 0 0
7 10 1 0 0 0 0
7 12 1 0 0 0 0
7 19 1 0 0 0 0
8 13 1 0 0 0 0
8 16 1 0 0 0 0
8 17 1 0 0 0 0
9 29 1 0 0 0 0
10 11 1 0 0 0 0
10 33 1 0 0 0 0
10 34 1 0 0 0 0
11 13 1 0 0 0 0
11 35 1 0 0 0 0
11 36 1 0 0 0 0
12 14 2 0 0 0 0
12 15 1 0 0 0 0
13 37 1 0 0 0 0
13 38 1 0 0 0 0
14 18 1 0 0 0 0
14 22 1 0 0 0 0
15 21 2 0 0 0 0
15 25 1 0 0 0 0
16 23 1 0 0 0 0
16 39 1 0 0 0 0
16 40 1 0 0 0 0
17 24 1 0 0 0 0
17 41 1 0 0 0 0
17 42 1 0 0 0 0
18 20 2 0 0 0 0
18 26 1 0 0 0 0
19 20 1 0 0 0 0
20 28 1 0 0 0 0
21 22 1 0 0 0 0
21 27 1 0 0 0 0
23 43 1 0 0 0 0
23 44 1 0 0 0 0
24 45 1 0 0 0 0
24 46 1 0 0 0 0
25 31 2 0 0 0 0
25 47 1 0 0 0 0
26 30 2 0 0 0 0
26 48 1 0 0 0 0
27 32 2 0 0 0 0
28 29 2 0 0 0 0
28 49 1 0 0 0 0
29 30 1 0 0 0 0
30 50 1 0 0 0 0
31 32 1 0 0 0 0
31 51 1 0 0 0 0
32 52 1 0 0 0 0
M CHG 2 5 -1 9 1
M END
$$$$