BY3M0U
-OEChem-04042101563D
29 31 0 1 0 0 0 0 0999 V2000
5.3896 0.8992 -0.2424 Cl 0 0 0 0 0 0 0 0 0 0 0 0
0.8111 -2.5281 0.2771 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5663 0.8534 0.5017 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6419 -0.7688 -0.1637 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.1489 1.1410 0.6085 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.3740 0.6742 -0.9301 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.9889 -0.6118 -0.3820 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.9375 0.6425 -0.3987 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8349 -1.5914 -0.2839 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2316 1.7883 -0.3370 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5744 -0.1600 0.9468 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6011 -1.3324 0.0835 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7630 -0.4308 0.1033 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0843 -0.6403 -0.2169 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7416 0.5944 -0.0014 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7751 1.4705 0.4352 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3806 0.6779 -2.0261 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7866 -0.9925 -1.0317 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2448 1.0702 -1.1298 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8403 1.1728 0.5547 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9126 -2.2837 0.5603 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7333 -2.1763 -1.2050 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6278 2.5554 0.1596 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8195 2.2821 -1.1175 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3399 -0.8513 1.3111 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8101 -0.0511 1.7253 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2772 1.7122 1.4416 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5184 -1.5683 -0.5627 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7821 2.5114 0.7250 H 0 0 0 0 0 0 0 0 0 0 0 0
1 15 1 0 0 0 0
2 12 2 0 0 0 0
3 13 1 0 0 0 0
3 16 1 0 0 0 0
4 8 1 0 0 0 0
4 9 1 0 0 0 0
4 12 1 0 0 0 0
5 10 1 0 0 0 0
5 11 1 0 0 0 0
5 27 1 0 0 0 0
6 7 1 0 0 0 0
6 8 1 0 0 0 0
6 10 1 0 0 0 0
6 17 1 0 0 0 0
7 9 1 0 0 0 0
7 11 1 0 0 0 0
7 18 1 0 0 0 0
8 19 1 0 0 0 0
8 20 1 0 0 0 0
9 21 1 0 0 0 0
9 22 1 0 0 0 0
10 23 1 0 0 0 0
10 24 1 0 0 0 0
11 25 1 0 0 0 0
11 26 1 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
14 28 1 0 0 0 0
15 16 2 0 0 0 0
16 29 1 0 0 0 0
M END
$$$$