B4OUR5
-OEChem-04042101483D
47 50 0 1 0 0 0 0 0999 V2000
-3.1903 -3.7881 -0.0792 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3950 -0.6782 -0.0817 N 0 0 0 0 0 0 0 0 0 0 0 0
3.1892 0.0194 -0.1230 N 0 0 3 0 0 0 0 0 0 0 0 0
-1.3759 -2.3047 -0.0860 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.8055 0.0313 -0.0514 N 0 0 0 0 0 0 0 0 0 0 0 0
6.2119 2.0441 -0.6716 N 0 0 0 0 0 0 0 0 0 0 0 0
6.8261 -0.0067 0.4347 N 0 0 0 0 0 0 0 0 0 0 0 0
-5.2722 0.7167 -0.6055 N 0 0 0 0 0 0 0 0 0 0 0 0
-5.8485 2.9733 0.0131 N 0 0 0 0 0 0 0 0 0 0 0 0
1.1755 -0.6621 1.1616 C 0 0 1 0 0 0 0 0 0 0 0 0
2.6698 -0.9036 0.8888 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1147 -0.5086 -1.3416 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2840 0.4593 -1.1863 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9356 0.6481 1.9169 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9523 -0.9601 -0.0726 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5233 0.4196 -0.1212 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9295 1.6248 -0.6564 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5249 -0.3631 0.4158 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7283 -2.6495 -0.0725 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3923 -3.3856 -0.1129 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1475 -0.2548 -0.0451 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6529 -1.4965 -0.0464 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0766 0.8975 -0.0071 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0950 1.1916 -0.1176 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6995 2.0709 0.6135 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6351 3.0849 0.5925 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0975 1.7798 -0.5588 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8315 -1.4715 1.8167 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8174 -1.9320 0.5349 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2146 -0.8016 1.8358 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4368 -0.1283 -2.1151 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4842 -1.4813 -1.6856 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8109 0.5088 -2.1474 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9107 1.4648 -0.9581 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1997 1.5249 1.3178 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5252 0.6776 2.8393 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1188 0.7500 2.1957 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2313 2.3295 -1.0964 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3306 -1.3376 0.8520 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2726 -3.2545 -0.9694 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8697 -4.3659 -0.1917 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1984 -3.3610 0.8057 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7142 -1.7183 -0.0222 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1323 1.5031 -0.1162 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7425 2.2130 1.0999 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4296 4.0436 1.0565 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0648 1.6623 -1.0317 H 0 0 0 0 0 0 0 0 0 0 0 0
1 19 2 0 0 0 0
2 10 1 0 0 0 0
2 12 1 0 0 0 0
2 15 1 0 0 0 0
3 11 1 0 0 0 0
3 13 1 0 0 0 0
3 16 1 0 0 0 0
4 15 1 0 0 0 0
4 19 1 0 0 0 0
4 20 1 0 0 0 0
5 15 2 0 0 0 0
5 21 1 0 0 0 0
6 17 2 0 0 0 0
6 24 1 0 0 0 0
7 18 1 0 0 0 0
7 24 2 0 0 0 0
8 23 2 0 0 0 0
8 27 1 0 0 0 0
9 26 1 0 0 0 0
9 27 2 0 0 0 0
10 11 1 0 0 0 0
10 14 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
12 13 1 0 0 0 0
12 31 1 0 0 0 0
12 32 1 0 0 0 0
13 33 1 0 0 0 0
13 34 1 0 0 0 0
14 35 1 0 0 0 0
14 36 1 0 0 0 0
14 37 1 0 0 0 0
16 17 1 0 0 0 0
16 18 2 0 0 0 0
17 38 1 0 0 0 0
18 39 1 0 0 0 0
19 22 1 0 0 0 0
20 40 1 0 0 0 0
20 41 1 0 0 0 0
20 42 1 0 0 0 0
21 22 2 0 0 0 0
21 23 1 0 0 0 0
22 43 1 0 0 0 0
23 25 1 0 0 0 0
24 44 1 0 0 0 0
25 26 2 0 0 0 0
25 45 1 0 0 0 0
26 46 1 0 0 0 0
27 47 1 0 0 0 0
M END
$$$$