B3M6DZ
-OEChem-04022108243D
43 45 0 0 0 0 0 0 0999 V2000
2.6082 -2.9449 -0.1332 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1988 -1.9791 0.5916 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1754 -0.6279 -0.4383 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.0324 -0.3105 0.2746 N 0 0 0 0 0 0 0 0 0 0 0 0
-5.6954 0.1931 0.0115 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2116 0.0610 0.0803 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3595 -1.1323 -0.4755 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1179 1.3222 -0.9790 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4021 0.5401 1.3638 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4845 -0.2455 -1.0699 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5506 0.2442 1.2948 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7963 -0.6246 -0.8625 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4111 -0.1879 0.2101 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9639 0.5273 -0.2819 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0967 -0.3688 -1.0057 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1627 0.1209 1.3592 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2487 0.1890 0.1382 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8984 -1.7681 -0.1312 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2840 -1.2662 0.2573 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6196 1.8507 -0.4865 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2348 1.1236 0.3716 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6010 2.8221 -0.2571 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8954 2.4619 0.1677 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1020 -1.9642 0.1907 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0352 -1.4053 -1.4856 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4520 -1.0456 -0.4992 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6838 2.2838 -0.6810 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2074 1.4395 -1.0088 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7876 1.1136 -2.0025 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0561 1.5007 1.7630 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2275 -0.2352 2.1190 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4882 0.6205 1.2326 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9740 -0.3936 -2.0282 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0659 0.4837 2.2184 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5517 -1.6232 -1.2423 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6770 0.1006 -1.6752 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5699 -0.6102 -1.9251 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6624 0.2669 2.3142 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4181 -0.1790 1.1729 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6284 2.1464 -0.8110 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2285 0.8414 0.6981 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3624 3.8718 -0.4080 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6368 3.2381 0.3380 H 0 0 0 0 0 0 0 0 0 0 0 0
1 18 2 0 0 0 0
2 19 2 0 0 0 0
3 12 1 0 0 0 0
3 14 1 0 0 0 0
3 18 1 0 0 0 0
4 12 1 0 0 0 0
4 13 1 0 0 0 0
4 39 1 0 0 0 0
5 6 1 0 0 0 0
5 7 1 0 0 0 0
5 8 1 0 0 0 0
5 9 1 0 0 0 0
6 10 2 0 0 0 0
6 11 1 0 0 0 0
7 24 1 0 0 0 0
7 25 1 0 0 0 0
7 26 1 0 0 0 0
8 27 1 0 0 0 0
8 28 1 0 0 0 0
8 29 1 0 0 0 0
9 30 1 0 0 0 0
9 31 1 0 0 0 0
9 32 1 0 0 0 0
10 15 1 0 0 0 0
10 33 1 0 0 0 0
11 16 2 0 0 0 0
11 34 1 0 0 0 0
12 35 1 0 0 0 0
12 36 1 0 0 0 0
13 15 2 0 0 0 0
13 16 1 0 0 0 0
14 17 1 0 0 0 0
14 20 2 0 0 0 0
15 37 1 0 0 0 0
16 38 1 0 0 0 0
17 19 1 0 0 0 0
17 21 2 0 0 0 0
18 19 1 0 0 0 0
20 22 1 0 0 0 0
20 40 1 0 0 0 0
21 23 1 0 0 0 0
21 41 1 0 0 0 0
22 23 2 0 0 0 0
22 42 1 0 0 0 0
23 43 1 0 0 0 0
M END
$$$$