B3I2JE
-OEChem-04042101453D
49 53 0 0 0 0 0 0 0999 V2000
0.0282 -3.7206 -0.0148 S 0 0 0 0 0 0 0 0 0 0 0 0
-0.8352 3.2735 1.6075 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0821 -0.4681 -2.7701 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0885 -4.7101 -0.0393 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3454 -4.1288 0.2089 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0153 0.1014 -1.8289 N 0 0 0 0 0 0 0 0 0 0 0 0
0.0989 -2.7819 -1.4293 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.6637 0.8815 -0.9037 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0228 1.7553 -0.1036 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1039 0.9275 -0.6136 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4195 1.9314 -0.1626 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7306 -0.8265 -2.6673 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3123 1.8666 0.3962 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1358 1.1572 -1.0882 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0199 2.4260 0.7598 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4190 0.1922 -1.9714 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1157 -2.0919 -1.9196 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2137 0.2631 -1.1161 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1194 2.8284 0.6535 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5509 2.1803 0.9303 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5279 1.2822 -1.1920 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4857 0.5550 -0.5993 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6531 1.5065 0.4163 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5068 2.9509 0.5482 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2096 2.1795 -0.3725 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4225 -2.5304 1.2313 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5947 -1.7956 1.8404 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7508 -2.3233 1.6028 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2836 -0.8536 2.8210 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0621 -1.3815 2.5833 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0449 -0.6465 3.1924 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5730 -0.3141 -3.1385 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0920 -1.1176 -3.5116 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7633 -1.8884 -1.0671 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6463 -2.7701 -2.5961 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1819 -0.4643 -1.9132 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6094 3.4477 1.3848 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6654 2.9184 1.7156 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0984 0.6905 -1.9027 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8134 -2.9996 -2.1347 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3563 0.0389 -0.9965 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6471 1.7171 0.8003 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0382 3.6503 1.1874 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2884 2.2766 -0.4521 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6355 -1.9340 1.5621 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5585 -2.8787 1.1347 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0752 -0.2781 3.2919 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0967 -1.2171 2.8698 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2875 0.0895 3.9533 H 0 0 0 0 0 0 0 0 0 0 0 0
1 4 2 0 0 0 0
1 5 2 0 0 0 0
1 7 1 0 0 0 0
1 26 1 0 0 0 0
2 15 2 0 0 0 0
3 16 2 0 0 0 0
6 8 1 0 0 0 0
6 12 1 0 0 0 0
6 16 1 0 0 0 0
7 17 1 0 0 0 0
7 40 1 0 0 0 0
8 9 2 0 0 0 0
8 10 1 0 0 0 0
9 11 1 0 0 0 0
9 15 1 0 0 0 0
10 13 1 0 0 0 0
10 18 2 0 0 0 0
11 14 1 0 0 0 0
11 19 2 0 0 0 0
12 17 1 0 0 0 0
12 32 1 0 0 0 0
12 33 1 0 0 0 0
13 15 1 0 0 0 0
13 20 2 0 0 0 0
14 16 1 0 0 0 0
14 21 2 0 0 0 0
17 34 1 0 0 0 0
17 35 1 0 0 0 0
18 22 1 0 0 0 0
18 36 1 0 0 0 0
19 24 1 0 0 0 0
19 37 1 0 0 0 0
20 23 1 0 0 0 0
20 38 1 0 0 0 0
21 25 1 0 0 0 0
21 39 1 0 0 0 0
22 23 2 0 0 0 0
22 41 1 0 0 0 0
23 42 1 0 0 0 0
24 25 2 0 0 0 0
24 43 1 0 0 0 0
25 44 1 0 0 0 0
26 27 2 0 0 0 0
26 28 1 0 0 0 0
27 29 1 0 0 0 0
27 45 1 0 0 0 0
28 30 2 0 0 0 0
28 46 1 0 0 0 0
29 31 2 0 0 0 0
29 47 1 0 0 0 0
30 31 1 0 0 0 0
30 48 1 0 0 0 0
31 49 1 0 0 0 0
M END
$$$$