HMDB0033244 RDKit 3D Dibutyl phthalate 42 42 0 0 0 0 0 0 0 0999 V2000 5.6847 1.9341 -0.9555 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2436 1.4830 -0.9330 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0886 0.0914 -1.5190 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6325 -0.2811 -1.4598 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1992 -0.2652 -0.0976 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8371 -0.5970 0.1345 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1352 -0.8720 -0.8507 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4237 -0.5738 1.5195 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3586 -0.2372 2.5120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0512 -0.1908 3.8492 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2315 -0.4878 4.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1523 -0.8180 3.2699 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8710 -0.8745 1.8973 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9410 -1.2374 1.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0725 -1.4772 1.5710 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9737 -1.3733 -0.3437 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0388 -1.7270 -1.1625 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2091 -0.8031 -1.0972 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7977 0.5972 -1.5122 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9912 1.5353 -1.4447 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8339 2.6447 -1.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9013 2.4339 -0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3068 1.0136 -1.0657 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5880 2.1502 -1.5229 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8540 1.4511 0.0911 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4683 0.1369 -2.5464 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7019 -0.6447 -0.9619 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0224 0.4364 -2.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4799 -1.3316 -1.8051 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3799 -0.0008 2.2054 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7772 0.0687 4.6000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4886 -0.4542 5.2959 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1666 -1.0461 3.6445 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4037 -2.7604 -1.0061 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6604 -1.7006 -2.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5801 -0.7581 -0.0529 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0424 -1.1604 -1.7252 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4094 0.5464 -2.5496 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9690 0.9529 -0.8748 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7285 2.5180 -1.0054 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8022 1.0688 -0.8268 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4383 1.7216 -2.4349 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 2 0 6 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 14 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 13 8 1 0 1 21 1 0 1 22 1 0 1 23 1 0 2 24 1 0 2 25 1 0 3 26 1 0 3 27 1 0 4 28 1 0 4 29 1 0 9 30 1 0 10 31 1 0 11 32 1 0 12 33 1 0 17 34 1 0 17 35 1 0 18 36 1 0 18 37 1 0 19 38 1 0 19 39 1 0 20 40 1 0 20 41 1 0 20 42 1 0 M END