BLX0K3
-OEChem-04012114252D
53 57 0 0 0 0 0 0 0999 V2000
7.7367 4.0844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.3255 -0.2551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5106 -4.0668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6526 0.1911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.6086 -4.2923 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0
9.9622 -2.5967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.6782 -0.7903 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3984 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.2959 -3.3424 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0
5.3692 0.1607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0091 -1.5335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0383 0.9039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7293 1.8549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3181 -2.4845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0150 -1.5361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0894 3.5491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3766 2.3902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2962 -2.6924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6564 -0.9982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9654 -1.9493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7086 -2.4818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5124 -3.0668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7586 4.2923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0457 3.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3334 -0.7566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6028 -3.6879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9875 -2.1501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6994 -2.7135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3170 -3.1383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3191 -0.9649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6200 -3.9124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9875 0.6493 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8218 -0.1303 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4200 0.4153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5858 1.1949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3476 2.3435 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1819 1.5638 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7077 4.0377 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5420 3.2580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1443 1.8153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9024 2.0616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9908 4.8671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2328 4.6208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4274 2.6447 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5931 3.4244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1826 -4.1439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3970 -1.6846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5152 -3.3055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9056 -0.5029 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8093 -4.5027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3942 -2.0817 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2427 0.6563 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 25 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 11 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 12 1 0 0 0 0
10 33 1 0 0 0 0
10 34 1 0 0 0 0
11 14 2 0 0 0 0
11 15 1 0 0 0 0
12 13 1 0 0 0 0
12 35 1 0 0 0 0
12 36 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 27 1 0 0 0 0
21 22 1 0 0 0 0
21 28 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 30 2 0 0 0 0
26 31 2 0 0 0 0
26 47 1 0 0 0 0
27 29 2 0 0 0 0
27 48 1 0 0 0 0
28 32 2 0 0 0 0
28 49 1 0 0 0 0
29 31 1 0 0 0 0
30 32 1 0 0 0 0
30 50 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
$$$$