B1A4TP
-OEChem-04022113133D
41 43 0 1 0 0 0 0 0999 V2000
-0.7627 0.9770 0.5251 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2552 3.9435 0.4821 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7423 0.3886 1.3469 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1690 1.4681 -1.5140 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4682 -3.7079 -0.7475 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8048 -0.1030 0.1369 N 0 0 0 0 0 0 0 0 0 0 0 0
2.0751 1.3156 0.5262 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.6040 -1.6509 0.3031 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.1209 1.9398 -0.3323 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.1610 3.0211 -0.5964 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.4328 2.2057 -0.6468 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1836 1.1565 0.4276 C 0 0 2 0 0 0 0 0 0 0 0 0
1.1678 2.4076 0.3179 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0937 -0.3921 0.6473 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1418 -1.0418 -0.6471 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0171 0.9279 -0.4215 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6413 -2.2374 -0.9672 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9804 -2.6160 -0.4725 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8646 -0.2388 -0.0645 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1411 -0.3676 -0.6118 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3841 -1.2048 0.8193 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9372 -1.4626 -0.2753 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1801 -2.2997 1.1559 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4566 -2.4286 0.6086 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1019 1.4150 -1.2707 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9607 3.5805 -1.5147 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3436 2.7784 -0.4457 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5339 1.7412 -1.6354 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5279 1.5252 1.4012 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9729 2.8298 1.3096 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6523 3.1736 -0.2968 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9716 4.5665 0.2718 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0315 0.8523 1.4275 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1657 -0.7664 -1.0301 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5279 -1.8787 0.6600 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0971 -2.9396 -1.5866 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5347 0.3771 -1.2986 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3853 -1.1587 1.2432 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9314 -1.5627 -0.7008 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8036 -3.0560 1.8386 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0758 -3.2819 0.8696 H 0 0 0 0 0 0 0 0 0 0 0 0
1 9 1 0 0 0 0
1 12 1 0 0 0 0
2 10 1 0 0 0 0
2 32 1 0 0 0 0
3 14 2 0 0 0 0
4 16 2 0 0 0 0
5 18 2 0 0 0 0
6 12 1 0 0 0 0
6 14 1 0 0 0 0
6 15 1 0 0 0 0
7 13 1 0 0 0 0
7 16 1 0 0 0 0
7 33 1 0 0 0 0
8 14 1 0 0 0 0
8 18 1 0 0 0 0
8 35 1 0 0 0 0
9 10 1 0 0 0 0
9 13 1 0 0 0 0
9 25 1 0 0 0 0
10 11 1 0 0 0 0
10 26 1 0 0 0 0
11 12 1 0 0 0 0
11 27 1 0 0 0 0
11 28 1 0 0 0 0
12 29 1 0 0 0 0
13 30 1 0 0 0 0
13 31 1 0 0 0 0
15 17 2 0 0 0 0
15 34 1 0 0 0 0
16 19 1 0 0 0 0
17 18 1 0 0 0 0
17 36 1 0 0 0 0
19 20 2 0 0 0 0
19 21 1 0 0 0 0
20 22 1 0 0 0 0
20 37 1 0 0 0 0
21 23 2 0 0 0 0
21 38 1 0 0 0 0
22 24 2 0 0 0 0
22 39 1 0 0 0 0
23 24 1 0 0 0 0
23 40 1 0 0 0 0
24 41 1 0 0 0 0
M END
$$$$