HMDB0259537 RDKit 3D N-2-Mdmn 39 39 0 0 0 0 0 0 0 0999 V2000 7.4463 -0.9662 0.0033 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2269 -0.2348 0.1525 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5886 0.0856 -1.1115 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3139 0.8491 -0.8345 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0745 0.4045 -0.7953 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0991 1.2208 -0.5330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6320 0.8033 -0.4673 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1997 0.2964 1.2004 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.5412 -0.1877 1.2468 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3966 1.0260 0.9911 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7981 0.7593 1.0049 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4213 -0.0259 -0.0033 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0609 0.0503 -1.2784 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6736 -0.7224 -2.2709 N 0 0 0 0 0 4 0 0 0 0 0 0 -5.8651 -0.5216 -2.6077 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9465 -1.7220 -2.8861 O 0 0 0 0 0 1 0 0 0 0 0 0 -5.4617 -0.9209 0.3485 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2126 -1.9576 1.3223 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4322 2.5382 -0.3056 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1292 2.5101 -0.4859 S 0 0 0 0 0 0 0 0 0 0 0 0 7.4904 -1.5849 -0.9235 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3095 -0.2564 0.0667 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5365 -1.6338 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5394 -0.6386 0.7996 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2276 0.6851 -1.7855 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2859 -0.8661 -1.5797 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4725 -0.0416 -1.1654 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0110 1.6332 -0.7632 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7760 -0.9541 0.4624 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7768 -0.5409 2.2561 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1568 1.7528 1.7999 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1231 1.4510 -0.0064 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4189 1.1379 1.7673 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2708 0.7361 -1.5318 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3865 -0.8074 -0.1082 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4583 -2.6672 0.8966 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1276 -2.5702 1.4751 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8675 -1.4928 2.2718 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7467 3.3736 -0.0687 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 2 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 2 3 13 14 1 0 14 15 2 0 14 16 1 0 12 17 1 0 17 18 1 0 6 19 2 0 19 20 1 0 20 4 1 0 1 21 1 0 1 22 1 0 1 23 1 0 2 24 1 0 3 25 1 0 3 26 1 0 7 27 1 0 7 28 1 0 9 29 1 0 9 30 1 0 10 31 1 0 10 32 1 0 11 33 1 0 13 34 1 0 17 35 1 0 18 36 1 0 18 37 1 0 18 38 1 0 19 39 1 0 M CHG 2 14 1 16 -1 M END