B3NCX5
-OEChem-04022107383D
30 31 0 0 0 0 0 0 0999 V2000
5.7032 -1.2849 0.0028 F 0 0 0 0 0 0 0 0 0 0 0 0
5.6257 0.6051 -1.0583 F 0 0 0 0 0 0 0 0 0 0 0 0
5.5888 0.5797 1.1158 F 0 0 0 0 0 0 0 0 0 0 0 0
-1.2165 1.9444 -0.0101 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5703 -0.3161 -0.0317 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.1621 -0.9729 -0.0042 N 0 0 0 0 0 0 0 0 0 0 0 0
-6.8513 -0.9060 0.0326 N 0 0 0 0 0 0 0 0 0 0 0 0
0.8235 -0.2524 -0.0205 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6102 -0.1260 0.0019 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5751 -1.4276 -0.0286 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4653 0.9859 -0.0012 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9684 -1.3643 -0.0174 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8586 1.0491 0.0101 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9166 0.3566 -0.0124 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4824 0.7474 -0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1001 -0.0592 0.0131 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9047 1.3279 -0.0059 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2301 0.9079 0.0099 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5227 -0.4514 0.0187 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4622 -1.3432 0.0111 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0880 -2.3993 -0.0436 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9550 1.9385 0.0061 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5364 -2.2904 -0.0241 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3511 2.0179 0.0250 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9635 -1.2550 -0.0416 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6794 2.3888 -0.0127 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0259 1.6480 0.0149 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6262 -2.4166 0.0167 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6144 -0.2424 0.0410 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0481 -1.8979 0.0419 H 0 0 0 0 0 0 0 0 0 0 0 0
1 16 1 0 0 0 0
2 16 1 0 0 0 0
3 16 1 0 0 0 0
4 15 2 0 0 0 0
5 8 1 0 0 0 0
5 15 1 0 0 0 0
5 25 1 0 0 0 0
6 14 2 0 0 0 0
6 20 1 0 0 0 0
7 19 1 0 0 0 0
7 29 1 0 0 0 0
7 30 1 0 0 0 0
8 10 2 0 0 0 0
8 11 1 0 0 0 0
9 12 2 0 0 0 0
9 13 1 0 0 0 0
9 16 1 0 0 0 0
10 12 1 0 0 0 0
10 21 1 0 0 0 0
11 13 2 0 0 0 0
11 22 1 0 0 0 0
12 23 1 0 0 0 0
13 24 1 0 0 0 0
14 15 1 0 0 0 0
14 17 1 0 0 0 0
17 18 2 0 0 0 0
17 26 1 0 0 0 0
18 19 1 0 0 0 0
18 27 1 0 0 0 0
19 20 2 0 0 0 0
20 28 1 0 0 0 0
M END
$$$$