D04TZA
-OEChem-04061902322D
42 45 0 1 0 0 0 0 0999 V2000
11.0198 2.1656 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.0611 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
2.3660 -1.3049 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
3.3660 0.4271 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
8.3673 -0.2217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.9887 1.6793 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0
6.4103 -0.6342 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.9939 -1.4389 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.4103 -2.2436 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.4389 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.6861 3.7489 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -1.9389 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -3.4389 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.6995 0.5226 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
8.0102 1.4731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6565 0.9350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7210 0.3164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3458 -0.0155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2993 2.6298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.9389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.2778 2.8360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -1.9389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.4389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -0.9389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.8867 2.6641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.6805 3.6426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.4389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5069 -0.0667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9896 2.0928 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3963 1.5604 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.2034 0.6430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0391 1.4229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7004 0.9360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1072 0.4037 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3664 -0.6352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.9597 -0.1029 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2788 3.2495 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6855 2.7172 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.4527 2.4110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.0961 4.1027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0611 -3.7489 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -3.7489 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 27 1 0 0 0 0
3 27 1 0 0 0 0
4 27 1 0 0 0 0
5 14 1 0 0 0 0
5 18 1 0 0 0 0
6 15 1 0 0 0 0
6 16 1 0 0 0 0
6 19 1 0 0 0 0
7 8 1 0 0 0 0
7 17 1 0 0 0 0
7 20 1 0 0 0 0
8 9 2 0 0 0 0
9 22 1 0 0 0 0
10 20 2 0 0 0 0
10 24 1 0 0 0 0
11 21 2 0 0 0 0
11 26 1 0 0 0 0
12 23 1 0 0 0 0
12 24 2 0 0 0 0
13 23 1 0 0 0 0
13 41 1 0 0 0 0
13 42 1 0 0 0 0
14 15 1 0 0 0 0
14 17 1 1 0 0 0
14 28 1 0 0 0 0
15 29 1 0 0 0 0
15 30 1 0 0 0 0
16 18 1 0 0 0 0
16 31 1 0 0 0 0
16 32 1 0 0 0 0
17 33 1 0 0 0 0
17 34 1 0 0 0 0
18 35 1 0 0 0 0
18 36 1 0 0 0 0
19 21 1 0 0 0 0
19 37 1 0 0 0 0
19 38 1 0 0 0 0
20 22 1 0 0 0 0
22 23 2 0 0 0 0
24 27 1 0 0 0 0
25 26 2 0 0 0 0
25 39 1 0 0 0 0
26 40 1 0 0 0 0
M END
$$$$