B1XN4J
-OEChem-04012120362D
48 49 0 1 0 0 0 0 0999 V2000
3.7320 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
4.5981 1.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.5981 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7932 3.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7976 2.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5947 2.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1181 4.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7196 3.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2520 3.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8535 2.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2742 2.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6728 3.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5947 4.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7976 4.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6728 3.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2742 4.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 0.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 2.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1951 -0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3291 -1.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -1.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -3.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -4.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3800 -4.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -5.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6200 -4.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
14 1 1 1 0 0 0
1 40 1 0 0 0 0
2 15 2 0 0 0 0
3 19 1 0 0 0 0
3 22 1 0 0 0 0
13 4 1 1 0 0 0
4 38 1 0 0 0 0
4 39 1 0 0 0 0
5 15 1 0 0 0 0
5 16 1 0 0 0 0
5 41 1 0 0 0 0
6 7 1 0 0 0 0
6 8 1 0 0 0 0
6 9 1 0 0 0 0
6 23 1 0 0 0 0
7 10 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 26 1 0 0 0 0
8 27 1 0 0 0 0
9 13 1 0 0 0 0
9 28 1 0 0 0 0
9 29 1 0 0 0 0
10 12 1 0 0 0 0
10 30 1 0 0 0 0
10 31 1 0 0 0 0
11 12 1 0 0 0 0
11 32 1 0 0 0 0
11 33 1 0 0 0 0
12 34 1 0 0 0 0
12 35 1 0 0 0 0
13 14 1 0 0 0 0
13 36 1 0 0 0 0
14 15 1 0 0 0 0
14 37 1 0 0 0 0
16 17 2 0 0 0 0
16 18 1 0 0 0 0
17 19 1 0 0 0 0
17 42 1 0 0 0 0
18 20 2 0 0 0 0
18 43 1 0 0 0 0
19 21 2 0 0 0 0
20 21 1 0 0 0 0
20 44 1 0 0 0 0
21 45 1 0 0 0 0
22 46 1 0 0 0 0
22 47 1 0 0 0 0
22 48 1 0 0 0 0
M END
$$$$