BNA5E3
-OEChem-04022118223D
47 46 0 1 0 0 0 0 0999 V2000
1.4729 -2.6489 1.0620 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6475 0.3778 0.9836 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8697 1.3148 -1.1146 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2761 -1.3456 -1.1122 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.4852 1.8545 0.2090 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.7794 0.1265 0.8821 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2038 -0.3863 0.3163 N 0 0 0 0 0 0 0 0 0 0 0 0
0.0450 0.1234 -1.2424 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.2961 0.4248 -0.0132 N 0 0 0 0 0 0 0 0 0 0 0 0
6.2618 1.4941 0.2460 N 0 0 0 0 0 0 0 0 0 0 0 0
2.1132 -0.8777 -0.4865 C 0 0 1 0 0 0 0 0 0 0 0 0
1.8559 -2.3782 -0.2857 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.2099 0.8332 -1.1607 C 0 0 2 0 0 0 0 0 0 0 0 0
0.8796 -0.0464 -0.1467 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0864 -3.2212 -0.5983 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0040 0.6840 -0.0681 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2988 -0.1620 -0.7803 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0905 0.9865 0.9561 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.5346 1.4857 -2.4986 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4353 -0.3102 0.4855 C 0 0 1 0 0 0 0 0 0 0 0 0
4.5957 2.0183 1.9620 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1308 -0.9062 1.8516 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6799 0.5590 0.5531 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3733 -0.7022 -1.5384 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0240 -2.6916 -0.9275 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1236 1.6036 -0.3856 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3397 -0.7984 1.2351 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2770 -0.3384 -2.1174 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8486 -4.2870 -0.5081 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4480 -3.0350 -1.6141 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8995 -3.0268 0.1095 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3719 0.0671 1.4822 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6352 0.7378 -3.2936 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7439 2.1833 -2.7947 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4782 2.0390 -2.4446 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6525 -1.1149 -0.2269 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2264 1.4108 0.2222 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2834 -3.6004 1.1289 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3025 2.9522 1.4686 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3679 2.2507 2.7033 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7162 1.6447 2.4981 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9200 -0.1207 2.5864 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9783 -1.4905 2.2257 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2568 -1.5649 1.8088 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6365 0.7652 -0.3603 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9992 1.7140 0.9145 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3140 2.3766 0.2617 H 0 0 0 0 0 0 0 0 0 0 0 0
1 12 1 0 0 0 0
1 38 1 0 0 0 0
2 14 2 0 0 0 0
3 16 2 0 0 0 0
4 17 2 0 0 0 0
5 23 1 0 0 0 0
5 47 1 0 0 0 0
6 23 2 0 0 0 0
7 11 1 0 0 0 0
7 16 1 0 0 0 0
7 27 1 0 0 0 0
8 13 1 0 0 0 0
8 14 1 0 0 0 0
8 28 1 0 0 0 0
9 17 1 0 0 0 0
9 20 1 0 0 0 0
9 37 1 0 0 0 0
10 18 1 0 0 0 0
10 45 1 0 0 0 0
10 46 1 0 0 0 0
11 12 1 0 0 0 0
11 14 1 0 0 0 0
11 24 1 0 0 0 0
12 15 1 0 0 0 0
12 25 1 0 0 0 0
13 17 1 0 0 0 0
13 19 1 0 0 0 0
13 26 1 0 0 0 0
15 29 1 0 0 0 0
15 30 1 0 0 0 0
15 31 1 0 0 0 0
16 18 1 0 0 0 0
18 21 1 0 0 0 0
18 32 1 0 0 0 0
19 33 1 0 0 0 0
19 34 1 0 0 0 0
19 35 1 0 0 0 0
20 22 1 0 0 0 0
20 23 1 0 0 0 0
20 36 1 0 0 0 0
21 39 1 0 0 0 0
21 40 1 0 0 0 0
21 41 1 0 0 0 0
22 42 1 0 0 0 0
22 43 1 0 0 0 0
22 44 1 0 0 0 0
M END
$$$$