BJ7VR4
-OEChem-04012114112D
51 55 0 0 0 0 0 0 0999 V2000
8.2452 -0.6090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.5494 3.1145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.7840 3.2437 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.7892 1.7724 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.7602 -3.7243 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.7549 -5.0004 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.3830 5.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0065 4.2186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3830 5.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7595 4.2186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8830 2.8098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9820 3.2437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6536 2.6702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5837 1.6309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6452 1.1790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7690 4.5409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2295 2.5235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4895 1.0336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5475 0.0984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 3.8384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4168 -0.0489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2318 2.8228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4392 -0.5197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0027 -2.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1743 -1.6065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9318 -3.1641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7003 -3.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7940 -4.7237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.3150 -4.1720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9416 5.2694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2450 5.6049 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5651 3.9496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3930 4.7033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5210 5.6049 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8244 5.2694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6380 5.1469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3744 1.9207 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0450 1.3091 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9858 -0.1641 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4082 4.0234 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7789 2.3994 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3905 -1.1378 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.6041 -2.3173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2555 -1.6006 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5729 -1.4558 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9215 -2.1726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3304 -3.0135 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6790 -3.7302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.8719 -2.7875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3050 -5.1049 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.9347 -4.1511 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 21 1 0 0 0 0
1 25 1 0 0 0 0
2 13 2 0 0 0 0
3 8 1 0 0 0 0
3 11 1 0 0 0 0
3 13 1 0 0 0 0
4 11 2 0 0 0 0
4 15 1 0 0 0 0
5 26 1 0 0 0 0
5 27 1 0 0 0 0
5 28 1 0 0 0 0
6 28 2 0 0 0 0
6 29 1 0 0 0 0
7 8 1 0 0 0 0
7 9 1 0 0 0 0
7 30 1 0 0 0 0
7 31 1 0 0 0 0
8 32 1 0 0 0 0
8 33 1 0 0 0 0
9 10 1 0 0 0 0
9 34 1 0 0 0 0
9 35 1 0 0 0 0
10 12 1 0 0 0 0
10 16 2 0 0 0 0
11 12 1 0 0 0 0
12 17 2 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
14 18 1 0 0 0 0
15 19 1 0 0 0 0
16 20 1 0 0 0 0
16 36 1 0 0 0 0
17 22 1 0 0 0 0
17 37 1 0 0 0 0
18 21 2 0 0 0 0
18 38 1 0 0 0 0
19 23 2 0 0 0 0
19 39 1 0 0 0 0
20 22 2 0 0 0 0
20 40 1 0 0 0 0
21 23 1 0 0 0 0
22 41 1 0 0 0 0
23 42 1 0 0 0 0
24 25 1 0 0 0 0
24 26 1 0 0 0 0
24 43 1 0 0 0 0
24 44 1 0 0 0 0
25 45 1 0 0 0 0
25 46 1 0 0 0 0
26 47 1 0 0 0 0
26 48 1 0 0 0 0
27 29 2 0 0 0 0
27 49 1 0 0 0 0
28 50 1 0 0 0 0
29 51 1 0 0 0 0
M END
$$$$