B4QAO5
-OEChem-04022100592D
43 45 0 1 0 0 0 0 0999 V2000
2.3660 1.5042 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
4.6261 0.2441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -2.5347 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0
8.7576 1.6334 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.0570 0.5531 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.3660 1.5042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.2358 2.2916 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -3.0347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -1.5347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.5347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.0347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.5347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0634 1.2733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3203 0.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.0347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -3.0347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0145 0.9643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3692 0.9132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6750 0.5531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6531 2.6280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7358 1.4255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5667 3.0347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4675 -3.5096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2646 -3.5096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3426 -1.6424 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9441 -0.9521 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3894 -2.4270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7880 -3.1173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -1.2247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3545 1.8208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5749 1.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0292 0.0568 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8089 0.2225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2881 -3.5716 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -3.3447 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9081 -2.4978 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7234 0.4169 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5031 0.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6603 1.4606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8807 1.2949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1162 2.9380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.9880 0.8591 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.6956 3.6411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 5 1 0 0 0 0
1 6 1 0 0 0 0
2 18 1 0 0 0 0
2 19 1 0 0 0 0
3 8 1 0 0 0 0
3 9 1 0 0 0 0
3 16 1 0 0 0 0
4 17 1 0 0 0 0
4 20 1 0 0 0 0
4 21 1 0 0 0 0
5 15 2 0 0 0 0
6 19 2 0 0 0 0
7 21 2 0 0 0 0
7 22 1 0 0 0 0
8 10 1 0 0 0 0
8 23 1 0 0 0 0
8 24 1 0 0 0 0
9 11 1 0 0 0 0
9 25 1 0 0 0 0
9 26 1 0 0 0 0
10 12 1 0 0 0 0
10 27 1 0 0 0 0
10 28 1 0 0 0 0
11 12 2 0 0 0 0
11 15 1 0 0 0 0
12 29 1 0 0 0 0
13 14 1 0 0 0 0
13 17 1 0 0 0 0
13 30 1 0 0 0 0
13 31 1 0 0 0 0
14 18 1 0 0 0 0
14 32 1 0 0 0 0
14 33 1 0 0 0 0
15 19 1 0 0 0 0
16 34 1 0 0 0 0
16 35 1 0 0 0 0
16 36 1 0 0 0 0
17 37 1 0 0 0 0
17 38 1 0 0 0 0
18 39 1 0 0 0 0
18 40 1 0 0 0 0
20 22 2 0 0 0 0
20 41 1 0 0 0 0
21 42 1 0 0 0 0
22 43 1 0 0 0 0
M END
$$$$