BA0C4I
-OEChem-04022100492D
50 53 0 1 0 0 0 0 0999 V2000
3.7320 1.7500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -2.2500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.2500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 0.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.6603 1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
11.6065 0.4453 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
11.6065 2.0547 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -0.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6603 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 0.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
8.0622 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1901 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.1901 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.6901 0.3840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.6901 2.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.6901 0.3840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.6901 2.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.1901 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7162 2.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3176 1.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3957 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.1928 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.1928 2.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3957 2.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5947 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7976 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8626 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0656 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 -1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7932 -1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.3801 -0.1530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.3801 2.6530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3291 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
15.0001 -0.1530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
15.0001 2.6530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
15.8101 1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 21 1 0 0 0 0
2 25 1 0 0 0 0
3 27 1 0 0 0 0
4 16 2 0 0 0 0
5 10 1 0 0 0 0
5 11 1 0 0 0 0
5 16 1 0 0 0 0
6 8 1 0 0 0 0
6 12 1 0 0 0 0
6 13 1 0 0 0 0
7 13 2 0 0 0 0
7 18 1 0 0 0 0
8 18 2 0 0 0 0
15 9 1 6 0 0 0
9 42 1 0 0 0 0
9 43 1 0 0 0 0
10 12 1 0 0 0 0
10 31 1 0 0 0 0
10 32 1 0 0 0 0
11 13 1 0 0 0 0
11 33 1 0 0 0 0
11 34 1 0 0 0 0
12 35 1 0 0 0 0
12 36 1 0 0 0 0
14 15 1 0 0 0 0
14 16 1 0 0 0 0
14 37 1 0 0 0 0
14 38 1 0 0 0 0
15 17 1 0 0 0 0
15 39 1 0 0 0 0
17 19 1 0 0 0 0
17 40 1 0 0 0 0
17 41 1 0 0 0 0
18 20 1 0 0 0 0
19 21 1 0 0 0 0
19 22 2 0 0 0 0
20 23 2 0 0 0 0
20 24 1 0 0 0 0
21 26 2 0 0 0 0
22 25 1 0 0 0 0
22 44 1 0 0 0 0
23 28 1 0 0 0 0
23 45 1 0 0 0 0
24 29 2 0 0 0 0
24 46 1 0 0 0 0
25 27 2 0 0 0 0
26 27 1 0 0 0 0
26 47 1 0 0 0 0
28 30 2 0 0 0 0
28 48 1 0 0 0 0
29 30 1 0 0 0 0
29 49 1 0 0 0 0
30 50 1 0 0 0 0
M END
$$$$