BA2GT5
-OEChem-04022103453D
50 53 0 0 0 0 0 0 0999 V2000
5.0704 -1.7901 0.4508 S 0 0 0 0 0 0 0 0 0 0 0 0
5.6592 -1.2865 1.6878 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1762 -3.2182 0.1678 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7676 1.5453 1.8392 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.9354 -1.9598 0.7229 O 0 0 0 0 0 0 0 0 0 0 0 0
5.7311 -0.8912 -0.8829 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.7017 -0.3370 0.4395 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.5644 1.7925 1.4535 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.8584 1.6989 1.1026 N 0 0 0 0 0 0 0 0 0 0 0 0
4.7919 1.1325 -1.7088 N 0 0 0 0 0 0 0 0 0 0 0 0
6.2906 1.1631 0.1782 N 0 0 0 0 0 0 0 0 0 0 0 0
3.3773 -1.3639 0.4476 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6720 -0.6828 0.4422 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4691 -2.1203 -0.2932 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9329 -0.2669 1.1859 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1165 -1.7797 -0.2960 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5802 0.0736 1.1831 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7704 0.8363 0.8916 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5915 -1.4864 -2.2380 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8757 0.6407 0.2877 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5971 0.5500 -0.7999 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3649 0.7197 1.1058 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6028 0.0632 0.1197 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1050 0.2017 -0.3160 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.5989 -1.0816 -0.0825 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.8053 1.0785 -1.1445 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.7932 -1.4882 -0.6774 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.9996 0.6719 -1.7395 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.4937 -0.6114 -1.5059 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1426 2.5034 0.2268 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6900 2.4737 -1.6024 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3482 3.2191 -0.6456 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7943 -2.9744 -0.8804 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6226 0.3382 1.7676 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4199 -2.3767 -0.8789 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3123 0.9356 1.7771 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2717 -0.9528 -0.1345 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5479 -1.4799 -2.5650 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1966 -0.9280 -2.9602 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9656 -2.5143 -2.2375 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3439 -0.7944 -0.4850 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2922 2.5372 2.0832 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4358 2.0820 -1.3427 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.1905 -2.4849 -0.5048 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.5446 1.3541 -2.3854 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.4235 -0.9279 -1.9694 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6985 3.0027 1.0131 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0423 2.9485 -2.3316 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2476 4.2942 -0.5832 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4317 -2.7953 0.7609 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
1 3 2 0 0 0 0
1 6 1 0 0 0 0
1 12 1 0 0 0 0
4 22 2 0 0 0 0
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6 19 1 0 0 0 0
6 21 1 0 0 0 0
7 13 1 0 0 0 0
7 22 1 0 0 0 0
7 37 1 0 0 0 0
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14 16 1 0 0 0 0
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15 17 2 0 0 0 0
15 34 1 0 0 0 0
16 35 1 0 0 0 0
17 36 1 0 0 0 0
18 22 1 0 0 0 0
18 23 2 0 0 0 0
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20 24 1 0 0 0 0
23 41 1 0 0 0 0
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27 29 1 0 0 0 0
27 44 1 0 0 0 0
28 29 2 0 0 0 0
28 45 1 0 0 0 0
29 46 1 0 0 0 0
30 32 1 0 0 0 0
30 47 1 0 0 0 0
31 32 2 0 0 0 0
31 48 1 0 0 0 0
32 49 1 0 0 0 0
M END
$$$$