HMDB0005769 RDKit 3D Balenine 33 33 0 0 0 0 0 0 0 0999 V2000 5.1960 0.5622 -1.2768 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0857 0.8542 -0.3897 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0230 1.7122 0.6407 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8310 1.6998 1.2138 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0466 0.7959 0.5480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6564 0.5463 0.8886 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0303 -0.5936 0.2378 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4269 -0.5383 0.7514 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5302 -0.4345 -0.1085 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4310 -0.3805 -1.3624 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8972 -0.3835 0.4608 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9561 -0.2727 -0.6096 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8020 0.9131 -1.4126 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5367 -1.9223 0.6673 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2291 -2.6931 1.3272 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7840 -2.3859 0.4239 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8459 0.2887 -0.4378 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1412 0.8537 -0.7346 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1584 1.1113 -2.2159 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2840 -0.5455 -1.4296 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8666 2.3378 0.9537 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4693 0.4656 1.9852 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0632 1.4690 0.5999 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1192 -0.5366 -0.8562 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5492 -0.5804 1.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0208 0.4969 1.1479 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1120 -1.3339 1.0145 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8605 -1.1555 -1.2624 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9489 -0.2488 -0.1531 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4332 1.7156 -0.8324 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7084 1.2570 -1.8082 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5007 -2.6396 1.0587 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5665 -0.4346 -1.1675 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 9 11 1 0 11 12 1 0 12 13 1 0 7 14 1 0 14 15 2 0 14 16 1 0 5 17 2 0 17 2 1 0 1 18 1 0 1 19 1 0 1 20 1 0 3 21 1 0 6 22 1 0 6 23 1 0 7 24 1 6 8 25 1 0 11 26 1 0 11 27 1 0 12 28 1 0 12 29 1 0 13 30 1 0 13 31 1 0 16 32 1 0 17 33 1 0 M END