HMDB0035156 RDKit 3D Neryl formate 31 30 0 0 0 0 0 0 0 0999 V2000 3.2321 -0.3819 0.7557 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1884 0.6487 0.5480 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2873 1.9245 1.3228 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2135 0.4173 -0.3026 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1833 -0.8681 -1.0319 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0881 -1.6494 -0.7387 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2148 -0.7895 -1.1756 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2911 -0.3755 -2.6399 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1430 -0.3725 -0.3633 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2510 -0.6578 1.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2222 0.5288 1.8582 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1614 1.5395 1.7232 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0803 1.4329 0.8918 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7683 -1.3074 1.1564 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7795 -0.6400 -0.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0075 -0.0342 1.4858 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6949 1.6678 2.3207 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3038 2.3969 1.4705 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9300 2.6685 0.7833 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4608 1.1941 -0.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2495 -0.6168 -2.1201 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0174 -1.5036 -0.7254 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1284 -2.0256 0.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1266 -2.5423 -1.4296 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6080 -0.9886 -3.2493 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3185 -0.5873 -2.9725 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0692 0.7058 -2.6735 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9387 0.2651 -0.7962 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4331 -1.2806 1.4610 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2113 -1.1703 1.3335 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0308 2.4016 2.3819 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 2 3 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 7 9 2 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 2 0 1 14 1 0 1 15 1 0 1 16 1 0 3 17 1 0 3 18 1 0 3 19 1 0 4 20 1 0 5 21 1 0 5 22 1 0 6 23 1 0 6 24 1 0 8 25 1 0 8 26 1 0 8 27 1 0 9 28 1 0 10 29 1 0 10 30 1 0 12 31 1 0 M END