B3XMH0
-OEChem-04022103173D
33 34 0 0 0 0 0 0 0999 V2000
1.3128 1.2774 0.8069 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8147 0.7270 -0.6739 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7767 0.0538 -0.1465 N 0 0 0 0 0 0 0 0 0 0 0 0
4.2119 -1.9444 -0.9660 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.3816 -1.4486 0.0015 N 0 0 0 0 0 0 0 0 0 0 0 0
3.5334 1.4943 -0.1103 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0592 1.8411 -0.2707 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0194 0.9384 0.5538 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7778 -0.7745 0.9262 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6328 0.2437 0.0366 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0387 -0.6748 -1.2598 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7150 1.6482 -0.3963 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5723 -0.1185 1.2456 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0411 1.3008 -0.6550 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8984 -0.4657 0.9871 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0501 -2.0134 0.3951 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0153 -0.1183 -0.2338 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7089 -1.9666 -0.2406 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9126 1.8505 0.8547 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1332 1.9496 -0.9057 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9382 2.9301 -0.2552 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7249 1.4524 -1.2417 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5930 -0.4391 1.9372 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0916 -0.2449 -2.2508 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3015 2.4947 -0.9364 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0064 -0.6704 1.9912 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5966 1.8672 -1.3979 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3290 -1.2748 1.5697 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1377 -2.9513 0.9238 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6797 -2.1275 0.2758 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7478 -2.3458 -1.2647 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4566 -1.1802 -0.1118 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8966 -2.7818 0.4620 H 0 0 0 0 0 0 0 0 0 0 0 0
1 7 1 0 0 0 0
1 8 1 0 0 0 0
2 17 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 11 2 0 0 0 0
4 16 1 0 0 0 0
5 17 1 0 0 0 0
5 18 1 0 0 0 0
5 30 1 0 0 0 0
6 7 1 0 0 0 0
6 19 1 0 0 0 0
6 20 1 0 0 0 0
7 21 1 0 0 0 0
7 22 1 0 0 0 0
8 12 2 0 0 0 0
8 13 1 0 0 0 0
9 16 2 0 0 0 0
9 23 1 0 0 0 0
10 14 2 0 0 0 0
10 15 1 0 0 0 0
10 17 1 0 0 0 0
11 24 1 0 0 0 0
12 14 1 0 0 0 0
12 25 1 0 0 0 0
13 15 2 0 0 0 0
13 26 1 0 0 0 0
14 27 1 0 0 0 0
15 28 1 0 0 0 0
16 29 1 0 0 0 0
18 31 1 0 0 0 0
18 32 1 0 0 0 0
18 33 1 0 0 0 0
M END
$$$$