HMDB0040412 RDKit 3D DL-Propylene glycol dibenzoate 37 38 0 0 0 0 0 0 0 0999 V2000 0.0324 -1.0799 1.5966 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2974 -0.0715 0.4850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4585 1.1653 0.7976 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8355 0.9170 0.7385 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4621 0.5290 -0.4301 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8259 0.3835 -1.5061 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9100 0.2678 -0.4655 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6943 0.3975 0.6525 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0694 0.1484 0.6142 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6588 -0.2363 -0.5676 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8835 -0.3702 -1.6967 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5193 -0.1170 -1.6334 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6981 0.0821 0.5224 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5382 -0.3062 -0.5033 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9845 -0.8220 -1.5111 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9835 -0.1429 -0.4542 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7492 -0.5518 -1.5092 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1388 -0.3973 -1.4673 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7642 0.1651 -0.3732 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9641 0.5680 0.6761 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5787 0.4200 0.6477 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1051 -1.2880 1.5762 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5984 -1.9745 1.4238 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2889 -0.6378 2.5551 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0485 -0.5316 -0.4455 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2466 1.5574 1.8166 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2730 1.9782 0.0309 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2319 0.6997 1.5810 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6809 0.2484 1.4814 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7206 -0.4261 -0.5861 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3639 -0.6719 -2.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8988 -0.2214 -2.5253 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2846 -0.9919 -2.3709 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7611 -0.7160 -2.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8467 0.2772 -0.3585 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4435 1.0059 1.5298 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9990 0.7439 1.4775 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 2 0 5 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 2 13 1 0 13 14 1 0 14 15 2 0 14 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 12 7 1 0 21 16 1 0 1 22 1 0 1 23 1 0 1 24 1 0 2 25 1 0 3 26 1 0 3 27 1 0 8 28 1 0 9 29 1 0 10 30 1 0 11 31 1 0 12 32 1 0 17 33 1 0 18 34 1 0 19 35 1 0 20 36 1 0 21 37 1 0 M END