BK4IA7
-OEChem-04022101523D
43 45 0 1 0 0 0 0 0999 V2000
-4.9969 1.0637 1.1739 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4758 -1.5243 0.3618 N 0 0 1 0 0 0 0 0 0 0 0 0
-0.0396 0.3700 -1.3121 N 0 0 3 0 0 0 0 0 0 0 0 0
0.9280 -0.5296 -0.6499 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.5095 -0.8904 1.2550 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0888 -2.7137 -0.2837 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5644 -0.0687 0.5395 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2812 0.5491 -0.7042 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1135 0.2716 -0.0877 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0421 -3.5866 -0.8183 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9596 -3.4876 0.7022 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2897 0.9641 -2.5987 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8068 0.1210 1.1678 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2970 1.3333 -1.2812 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3744 -0.3180 0.0017 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9279 1.5884 0.3331 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7898 0.9010 0.5685 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5353 1.5055 -0.6558 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4500 0.4093 0.5119 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0033 2.3156 0.8433 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2642 1.7261 0.9328 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3851 -1.0833 -1.4782 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0454 -0.1708 1.8752 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9380 -1.5515 2.0140 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7337 -2.4387 -1.1292 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7524 -3.8476 -0.0250 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6024 -3.1182 -1.6318 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6426 -4.5255 -1.2186 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4438 -3.6880 1.6487 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9249 -3.0084 0.8952 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2106 -4.4687 0.2790 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3156 0.7270 -2.9014 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2117 2.0559 -2.5574 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3744 0.5837 -3.3822 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9997 -0.3482 2.1301 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1468 1.8305 -2.2365 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5327 -1.3431 -0.3224 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9602 2.0782 0.2950 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2959 2.1167 -1.1346 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4317 -0.0499 0.5818 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8584 3.3398 1.1746 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1013 2.2921 1.3309 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9983 0.5718 2.0130 H 0 0 0 0 0 0 0 0 0 0 0 0
1 17 1 0 0 0 0
1 43 1 0 0 0 0
2 4 1 0 0 0 0
2 5 1 0 0 0 0
2 6 1 0 0 0 0
3 4 1 0 0 0 0
3 8 1 0 0 0 0
3 12 1 0 0 0 0
4 9 1 0 0 0 0
4 22 1 0 0 0 0
5 7 1 0 0 0 0
5 23 1 0 0 0 0
5 24 1 0 0 0 0
6 10 1 0 0 0 0
6 11 1 0 0 0 0
6 25 1 0 0 0 0
7 8 2 0 0 0 0
7 13 1 0 0 0 0
8 14 1 0 0 0 0
9 15 2 0 0 0 0
9 16 1 0 0 0 0
10 26 1 0 0 0 0
10 27 1 0 0 0 0
10 28 1 0 0 0 0
11 29 1 0 0 0 0
11 30 1 0 0 0 0
11 31 1 0 0 0 0
12 32 1 0 0 0 0
12 33 1 0 0 0 0
12 34 1 0 0 0 0
13 17 2 0 0 0 0
13 35 1 0 0 0 0
14 18 2 0 0 0 0
14 36 1 0 0 0 0
15 19 1 0 0 0 0
15 37 1 0 0 0 0
16 20 2 0 0 0 0
16 38 1 0 0 0 0
17 18 1 0 0 0 0
18 39 1 0 0 0 0
19 21 2 0 0 0 0
19 40 1 0 0 0 0
20 21 1 0 0 0 0
20 41 1 0 0 0 0
21 42 1 0 0 0 0
M END
$$$$