B68DCM
-OEChem-04012114513D
45 47 0 1 0 0 0 0 0999 V2000
-0.0274 -1.1228 1.0003 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0835 -0.1323 0.6146 N 0 0 0 0 0 0 0 0 0 0 0 0
2.0083 2.4286 0.9520 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.8897 -2.8129 -1.3801 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.3882 0.5127 0.5578 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.9487 1.0313 0.3959 C 0 0 2 0 0 0 0 0 0 0 0 0
-4.9912 0.5215 -0.8448 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2536 -0.8642 1.2021 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8688 1.5965 -1.0282 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3127 1.7127 -1.4978 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8610 -1.3553 0.8094 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.6998 -0.1251 0.7305 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0184 1.1996 0.4963 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8770 -2.1699 -0.4144 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5006 1.0872 0.6346 C 0 0 1 0 0 0 0 0 0 0 0 0
2.1993 0.5927 -0.6510 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6126 0.1029 -0.4493 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6816 0.9921 -0.5592 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8496 -1.2392 -0.1529 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9877 0.5392 -0.3729 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1555 -1.6923 0.0335 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2246 -0.8030 -0.0766 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9703 1.1873 1.1978 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7138 1.7944 1.1456 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0796 0.6324 -0.8197 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7642 -0.3935 -1.4006 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0629 -1.5497 0.9298 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2838 -0.7351 2.2920 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3161 0.9237 -1.6951 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3713 2.5713 -1.0521 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3971 1.6957 -2.5881 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7545 2.6482 -1.1345 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4169 -1.9435 1.6209 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4182 1.8950 1.2449 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2707 1.5817 -0.4968 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7615 0.4354 1.4774 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6169 -0.2306 -1.0868 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1887 1.3754 -1.4227 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0087 2.3845 1.1396 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5786 2.7640 1.8136 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5127 2.0393 -0.7954 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0249 -1.9411 -0.0620 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8202 1.2312 -0.4598 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3401 -2.7373 0.2649 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2415 -1.1559 0.0684 H 0 0 0 0 0 0 0 0 0 0 0 0
1 12 2 0 0 0 0
2 6 1 0 0 0 0
2 11 1 0 0 0 0
2 12 1 0 0 0 0
3 15 1 0 0 0 0
3 39 1 0 0 0 0
3 40 1 0 0 0 0
4 14 3 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 23 1 0 0 0 0
6 9 1 0 0 0 0
6 24 1 0 0 0 0
7 10 1 0 0 0 0
7 25 1 0 0 0 0
7 26 1 0 0 0 0
8 11 1 0 0 0 0
8 27 1 0 0 0 0
8 28 1 0 0 0 0
9 10 1 0 0 0 0
9 29 1 0 0 0 0
9 30 1 0 0 0 0
10 31 1 0 0 0 0
10 32 1 0 0 0 0
11 14 1 0 0 0 0
11 33 1 0 0 0 0
12 13 1 0 0 0 0
13 15 1 0 0 0 0
13 34 1 0 0 0 0
13 35 1 0 0 0 0
15 16 1 0 0 0 0
15 36 1 0 0 0 0
16 17 1 0 0 0 0
16 37 1 0 0 0 0
16 38 1 0 0 0 0
17 18 2 0 0 0 0
17 19 1 0 0 0 0
18 20 1 0 0 0 0
18 41 1 0 0 0 0
19 21 2 0 0 0 0
19 42 1 0 0 0 0
20 22 2 0 0 0 0
20 43 1 0 0 0 0
21 22 1 0 0 0 0
21 44 1 0 0 0 0
22 45 1 0 0 0 0
M END
$$$$