B92HYQ
-OEChem-04012119392D
54 56 0 1 0 0 0 0 0999 V2000
7.4321 0.7166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -0.0841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.4159 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.9673 2.3638 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.0841 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.2731 2.0037 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
5.9641 2.9548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9641 2.9548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6551 2.0037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2242 1.6947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.4159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9184 2.0548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6615 2.7240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.0841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -1.5841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6126 2.4149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -1.5841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.0841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -2.5841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -2.5841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.8205 1.4368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.3557 3.0841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -3.0841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.5841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.7715 1.1278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.3068 2.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.5147 1.7969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3701 1.3914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5706 3.0837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8993 3.5714 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0289 3.5714 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3576 3.0837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0887 2.2559 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3451 1.4668 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8384 2.9703 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0611 0.2259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6273 1.5074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4069 1.6731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.9526 3.2714 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1730 3.1057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 -1.2741 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2646 -0.6091 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4675 -0.6091 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1951 -2.8941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 -2.8941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.3597 1.0219 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.2268 3.6905 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -3.7041 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6900 -1.0471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -1.8941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3100 -2.1210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.9005 0.5213 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.7675 3.1899 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.1043 1.6053 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 10 2 0 0 0 0
2 11 2 0 0 0 0
3 6 1 0 0 0 0
3 9 1 0 0 0 0
3 11 1 0 0 0 0
4 10 1 0 0 0 0
4 12 1 0 0 0 0
4 35 1 0 0 0 0
5 11 1 0 0 0 0
5 14 1 0 0 0 0
5 36 1 0 0 0 0
6 7 1 0 0 0 0
6 10 1 0 0 0 0
6 28 1 0 0 0 0
7 8 1 0 0 0 0
7 29 1 0 0 0 0
7 30 1 0 0 0 0
8 9 1 0 0 0 0
8 31 1 0 0 0 0
8 32 1 0 0 0 0
9 33 1 0 0 0 0
9 34 1 0 0 0 0
12 13 1 0 0 0 0
12 37 1 0 0 0 0
12 38 1 0 0 0 0
13 16 1 0 0 0 0
13 39 1 0 0 0 0
13 40 1 0 0 0 0
14 15 1 0 0 0 0
14 17 2 0 0 0 0
15 18 1 0 0 0 0
15 19 2 0 0 0 0
16 21 2 0 0 0 0
16 22 1 0 0 0 0
17 20 1 0 0 0 0
17 41 1 0 0 0 0
18 24 1 0 0 0 0
18 42 1 0 0 0 0
18 43 1 0 0 0 0
19 23 1 0 0 0 0
19 44 1 0 0 0 0
20 23 2 0 0 0 0
20 45 1 0 0 0 0
21 25 1 0 0 0 0
21 46 1 0 0 0 0
22 26 2 0 0 0 0
22 47 1 0 0 0 0
23 48 1 0 0 0 0
24 49 1 0 0 0 0
24 50 1 0 0 0 0
24 51 1 0 0 0 0
25 27 2 0 0 0 0
25 52 1 0 0 0 0
26 27 1 0 0 0 0
26 53 1 0 0 0 0
27 54 1 0 0 0 0
M END
$$$$