B9NAD3
-OEChem-04022100302D
54 55 0 1 0 0 0 0 0999 V2000
2.8660 -3.5000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 2.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 2.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
4.5981 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 2.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.8660 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 1.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9966 2.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1996 2.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 1.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4607 2.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6636 2.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5856 1.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9841 0.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5388 1.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1403 2.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6636 0.0251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4607 0.0251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1403 0.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5388 1.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6900 2.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 1.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3100 1.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4860 3.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 4.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2460 3.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6540 1.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2554 0.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9272 0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 24 1 0 0 0 0
2 15 2 0 0 0 0
3 10 1 0 0 0 0
3 11 1 0 0 0 0
3 15 1 0 0 0 0
6 4 1 1 0 0 0
4 18 1 0 0 0 0
4 40 1 0 0 0 0
8 5 1 1 0 0 0
5 49 1 0 0 0 0
5 50 1 0 0 0 0
6 7 1 0 0 0 0
6 9 1 0 0 0 0
6 25 1 0 0 0 0
7 8 1 0 0 0 0
7 26 1 0 0 0 0
7 27 1 0 0 0 0
8 15 1 0 0 0 0
8 28 1 0 0 0 0
9 16 1 0 0 0 0
9 17 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 13 1 0 0 0 0
11 32 1 0 0 0 0
11 33 1 0 0 0 0
12 14 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
13 37 1 0 0 0 0
14 38 1 0 0 0 0
14 39 1 0 0 0 0
16 41 1 0 0 0 0
16 42 1 0 0 0 0
16 43 1 0 0 0 0
17 44 1 0 0 0 0
17 45 1 0 0 0 0
17 46 1 0 0 0 0
18 19 1 0 0 0 0
18 47 1 0 0 0 0
18 48 1 0 0 0 0
19 20 2 0 0 0 0
19 21 1 0 0 0 0
20 22 1 0 0 0 0
20 51 1 0 0 0 0
21 23 2 0 0 0 0
21 52 1 0 0 0 0
22 24 2 0 0 0 0
22 53 1 0 0 0 0
23 24 1 0 0 0 0
23 54 1 0 0 0 0
M END
$$$$