BTWS09
-OEChem-04042107283D
27 27 0 0 0 0 0 0 0999 V2000
5.0485 0.0391 -0.4007 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2479 0.0634 -0.4824 N 0 0 0 0 0 0 0 0 0 0 0 0
4.3037 -0.3279 0.6977 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.3868 0.2521 0.2056 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9071 0.2021 0.0259 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8717 -0.6554 1.3520 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1492 -0.0892 -1.0888 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1436 1.3553 0.2064 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2869 -0.9975 -0.3236 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2401 1.3090 0.0375 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0970 -1.0439 -0.4925 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8606 0.1095 -0.3119 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9476 -0.2167 0.5746 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6768 1.2766 0.4762 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6959 -1.7152 1.1380 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9464 -0.5228 1.5180 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3545 -0.4115 2.2867 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8315 0.5621 -1.9106 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2266 0.0493 -0.9474 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9846 -1.1265 -1.3998 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6106 2.2982 0.4783 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8621 -1.9076 -0.4695 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8263 2.2133 0.1794 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5709 -1.9831 -0.7657 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4551 -0.4127 1.5447 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7924 -0.4758 1.5736 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7793 -0.6012 -0.3685 H 0 0 0 0 0 0 0 0 0 0 0 0
1 3 1 0 0 0 0
1 27 1 0 0 0 0
2 12 1 0 0 0 0
2 13 2 0 0 0 0
3 13 1 0 0 0 0
3 26 1 0 0 0 0
4 5 1 0 0 0 0
4 6 1 0 0 0 0
4 7 1 0 0 0 0
4 14 1 0 0 0 0
5 8 2 0 0 0 0
5 9 1 0 0 0 0
6 15 1 0 0 0 0
6 16 1 0 0 0 0
6 17 1 0 0 0 0
7 18 1 0 0 0 0
7 19 1 0 0 0 0
7 20 1 0 0 0 0
8 10 1 0 0 0 0
8 21 1 0 0 0 0
9 11 2 0 0 0 0
9 22 1 0 0 0 0
10 12 2 0 0 0 0
10 23 1 0 0 0 0
11 12 1 0 0 0 0
11 24 1 0 0 0 0
13 25 1 0 0 0 0
M END
$$$$