HMDB0304031 RDKit 3D 17-O-acetylnorajmaline 52 57 0 0 0 0 0 0 0 0999 V2000 4.3076 1.6123 -0.2665 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8163 0.4527 -1.1268 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0626 -0.4895 -0.2349 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8714 0.1746 0.4264 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2987 -0.9452 1.3041 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5116 -1.8519 0.3397 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8812 -1.4056 0.4511 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9299 -2.3284 0.1085 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1030 -1.4841 0.0224 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4674 -1.7118 0.1991 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3991 -0.7192 0.0606 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9955 0.5457 -0.2621 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6403 0.7908 -0.4421 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6932 -0.1988 -0.3057 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2551 -0.2402 -0.4335 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7951 -0.6045 -1.8518 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6898 -0.5116 -1.6581 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9234 0.5983 -0.6493 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4650 0.9635 -0.1355 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4485 1.3732 1.1916 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8554 2.6633 1.4964 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8832 3.2140 2.8581 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2310 3.4296 0.5480 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0922 -1.7515 -0.9729 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5468 -1.7066 -0.9473 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0988 -2.8802 -0.4648 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2445 2.0433 -0.6567 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5230 2.3762 -0.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5419 1.2205 0.7605 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1780 0.8799 -1.9076 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6950 0.0171 -1.5943 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7297 -0.8395 0.5812 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1499 1.0575 1.0178 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6687 -0.5591 2.1067 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0918 -1.5694 1.7266 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5875 -2.9137 0.6557 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1062 -1.0662 1.5056 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9641 -3.3418 -0.0583 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7880 -2.7289 0.4576 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4359 -0.9282 0.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6996 1.3728 -0.3841 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3585 1.8030 -0.6965 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1179 -1.6245 -2.0917 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1912 0.1376 -2.5697 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2611 -0.4023 -2.5718 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3650 1.4465 -1.1762 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8279 1.7872 -0.8103 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0487 2.8448 3.3726 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8762 4.3134 2.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7883 2.8413 3.3817 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8607 -1.6094 -2.0197 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0316 -3.5474 -1.2115 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 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 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 21 23 2 0 17 24 1 0 24 25 1 0 25 26 1 0 25 3 1 0 18 4 1 0 24 6 1 0 15 7 1 0 14 9 1 0 19 15 1 0 1 27 1 0 1 28 1 0 1 29 1 0 2 30 1 0 2 31 1 0 3 32 1 0 4 33 1 0 5 34 1 0 5 35 1 0 6 36 1 0 7 37 1 0 8 38 1 0 10 39 1 0 11 40 1 0 12 41 1 0 13 42 1 0 16 43 1 0 16 44 1 0 17 45 1 0 18 46 1 0 19 47 1 0 22 48 1 0 22 49 1 0 22 50 1 0 25 51 1 0 26 52 1 0 M END