BPQZ25
-OEChem-04022111383D
36 36 0 1 0 0 0 0 0999 V2000
-0.8213 -1.2678 0.5115 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5517 -1.5096 1.1604 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4873 0.4822 1.6913 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3865 0.3998 0.1570 N 0 0 0 0 0 0 0 0 0 0 0 0
1.2186 0.0713 -0.2498 N 0 0 0 0 0 0 0 0 0 0 0 0
4.7680 1.0767 -0.9957 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.3319 -2.1808 -1.0090 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.5348 -0.3353 0.6893 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.5999 0.7445 0.8893 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2858 1.7579 -0.2076 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7653 1.7502 -0.2539 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1021 -0.1216 0.1570 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7022 0.1458 -0.5951 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.0210 0.8133 -0.3238 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3479 0.8778 -0.7042 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9805 -1.3671 -0.2602 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7787 -1.0832 -1.5129 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9747 -0.2541 0.8565 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2585 -0.8045 1.6400 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4608 1.2233 1.8670 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6282 0.3733 0.8364 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6948 1.4129 -1.1648 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6944 2.7509 -0.0008 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3751 1.9811 -1.2487 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3409 2.4541 0.4702 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0037 1.6988 0.3199 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2359 1.1055 -1.3566 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1838 1.1798 -1.7472 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3878 1.7965 -0.1023 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3810 -0.2293 0.7110 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6804 -0.7954 -2.5664 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9834 -1.8065 -1.3003 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7337 -1.6103 -1.3982 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6788 0.6293 -0.8991 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7738 1.8892 -0.3803 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7195 -1.7340 2.1005 H 0 0 0 0 0 0 0 0 0 0 0 0
1 12 2 0 0 0 0
2 18 1 0 0 0 0
2 36 1 0 0 0 0
3 18 2 0 0 0 0
4 8 1 0 0 0 0
4 11 1 0 0 0 0
4 12 1 0 0 0 0
5 14 1 0 0 0 0
5 15 1 0 0 0 0
5 30 1 0 0 0 0
6 13 1 0 0 0 0
6 34 1 0 0 0 0
6 35 1 0 0 0 0
7 16 3 0 0 0 0
8 9 1 0 0 0 0
8 16 1 0 0 0 0
8 19 1 0 0 0 0
9 10 1 0 0 0 0
9 20 1 0 0 0 0
9 21 1 0 0 0 0
10 11 1 0 0 0 0
10 22 1 0 0 0 0
10 23 1 0 0 0 0
11 24 1 0 0 0 0
11 25 1 0 0 0 0
12 14 1 0 0 0 0
13 15 1 0 0 0 0
13 17 1 0 0 0 0
13 18 1 0 0 0 0
14 26 1 0 0 0 0
14 27 1 0 0 0 0
15 28 1 0 0 0 0
15 29 1 0 0 0 0
17 31 1 0 0 0 0
17 32 1 0 0 0 0
17 33 1 0 0 0 0
M END
$$$$