B6XE2V
-OEChem-04022101222D
43 45 0 1 0 0 0 0 0999 V2000
7.7619 2.1175 0.0000 P 0 3 0 0 0 0 0 0 0 0 0 0
8.2619 2.9836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.2619 1.2515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6783 0.4468 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.6783 2.0562 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.2515 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.7515 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 3.2515 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.2619 1.2515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2619 1.2515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9889 -0.5037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7619 2.1175 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
3.7320 0.7515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9674 -0.7100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 1.7515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2619 2.9836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2781 -1.6605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 2.2515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6103 -2.4048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2566 -1.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.7515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9209 -3.3553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5673 -2.8172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8994 -3.5615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1542 0.6409 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8445 1.0395 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3751 -0.5911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9684 -1.1234 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0719 2.6545 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5812 -0.6226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9880 -0.0903 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7988 3.2936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9519 3.5205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7249 2.6736 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0036 -2.2769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6707 -1.4052 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 0.4415 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5069 -3.8168 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1739 -2.9451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3291 3.5615 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 3.5615 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0920 -4.1508 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8819 2.9836 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
1 3 2 0 0 0 0
1 12 1 0 0 0 0
2 43 1 0 0 0 0
4 9 1 0 0 0 0
4 11 1 0 0 0 0
4 13 1 0 0 0 0
5 9 2 0 0 0 0
5 15 1 0 0 0 0
6 13 2 0 0 0 0
6 21 1 0 0 0 0
7 18 1 0 0 0 0
7 21 2 0 0 0 0
8 18 1 0 0 0 0
8 40 1 0 0 0 0
8 41 1 0 0 0 0
9 10 1 0 0 0 0
10 12 1 0 0 0 0
10 25 1 0 0 0 0
10 26 1 0 0 0 0
11 14 1 0 0 0 0
11 27 1 0 0 0 0
11 28 1 0 0 0 0
12 16 1 0 0 0 0
12 29 1 0 0 0 0
13 15 1 0 0 0 0
14 17 1 0 0 0 0
14 30 1 0 0 0 0
14 31 1 0 0 0 0
15 18 2 0 0 0 0
16 32 1 0 0 0 0
16 33 1 0 0 0 0
16 34 1 0 0 0 0
17 19 2 0 0 0 0
17 20 1 0 0 0 0
19 22 1 0 0 0 0
19 35 1 0 0 0 0
20 23 2 0 0 0 0
20 36 1 0 0 0 0
21 37 1 0 0 0 0
22 24 2 0 0 0 0
22 38 1 0 0 0 0
23 24 1 0 0 0 0
23 39 1 0 0 0 0
24 42 1 0 0 0 0
M CHG 1 1 1
M END
$$$$