HMDB0015520 RDKit 3D Oxprenolol 42 42 0 0 0 0 0 0 0 0999 V2000 -5.1650 3.3120 -0.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5220 2.4118 -0.7719 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5139 0.9953 -0.3402 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2081 0.5231 -0.1054 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0248 -0.7938 0.3078 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0751 -1.6494 0.4943 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9199 -2.9555 0.9025 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6418 -3.3985 1.1276 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5659 -2.5284 0.9391 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6854 -1.2259 0.5331 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7024 -0.3358 0.3258 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6435 -0.3188 0.3652 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4434 -1.1185 -0.6058 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2193 -2.4564 -0.5492 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9255 -0.8226 -0.2924 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0948 0.5943 -0.3678 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4048 1.0720 -0.1073 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4637 0.6205 -1.0506 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3637 2.5999 -0.1583 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6954 3.0607 0.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1716 4.3504 -0.3624 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0054 2.6843 -1.6662 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0970 0.8319 0.5785 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9532 0.3808 -1.1782 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1006 -1.2905 0.3132 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8029 -3.5622 1.0243 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4831 -4.4199 1.4490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5890 -2.9214 1.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9801 -0.7105 1.3984 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9950 0.7648 0.3396 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3063 -0.6889 -1.6328 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8402 -2.9683 0.0358 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0388 -1.1160 0.7859 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6000 -1.4154 -0.9032 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5910 1.0517 -1.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6958 0.7763 0.9161 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8956 -0.3725 -0.8164 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1029 0.7138 -2.0855 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3199 1.3506 -0.9627 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3228 2.9776 -0.2089 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7959 3.0236 0.7674 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8794 2.9738 -1.0661 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 3 4 1 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 13 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 17 19 1 0 10 5 1 0 1 20 1 0 1 21 1 0 2 22 1 0 3 23 1 0 3 24 1 0 6 25 1 0 7 26 1 0 8 27 1 0 9 28 1 0 12 29 1 0 12 30 1 0 13 31 1 0 14 32 1 0 15 33 1 0 15 34 1 0 16 35 1 0 17 36 1 0 18 37 1 0 18 38 1 0 18 39 1 0 19 40 1 0 19 41 1 0 19 42 1 0 M END