HMDB0061108 RDKit 3D 3'-Hydroxybuspirone 60 63 0 0 0 0 0 0 0 0999 V2000 -3.2568 1.4674 -2.2979 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2898 0.6163 -1.3666 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3795 -0.3702 -1.2213 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9267 -0.2960 0.1892 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6241 1.0371 0.3694 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0945 0.7216 0.4240 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0966 -0.6237 1.1430 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3148 -1.2719 0.9815 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9948 -1.3517 0.3916 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8786 -0.4698 1.2295 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5542 0.0698 0.8808 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6714 0.0619 1.7769 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2408 0.5894 -0.4045 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9142 1.0757 -0.7383 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0397 -0.0111 -1.2961 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3254 0.4679 -1.6486 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0786 1.0289 -0.4833 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2867 0.1143 0.5925 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0166 0.7817 1.6404 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4575 1.0189 1.2503 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9909 -0.2383 0.7640 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2914 -0.2756 0.1964 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0642 0.8154 0.0848 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2976 0.7901 -0.4517 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8220 -0.3981 -0.9187 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0206 -1.5160 -0.8003 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7874 -1.4427 -0.2542 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1832 -1.4133 0.8717 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8112 -1.1617 0.2289 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0461 -1.4067 -1.4306 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2295 -0.1566 -1.9042 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3536 1.5132 1.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3771 1.7307 -0.4837 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4790 0.5478 -0.5887 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6808 1.4583 1.0012 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8142 -0.4818 2.1975 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8347 -0.8137 0.2746 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4058 -1.6343 -0.6016 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6143 -2.1922 0.9715 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7420 -1.5474 1.5153 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2034 0.0387 2.1658 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9996 1.9331 -1.4215 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4395 1.4321 0.2105 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5427 -0.4140 -2.1925 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0780 -0.8103 -0.5179 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8749 -0.2908 -2.2255 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1867 1.3286 -2.3689 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0445 1.4761 -0.8538 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5129 1.9002 -0.0934 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0243 0.1330 2.5396 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5061 1.7515 1.8269 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0185 1.3945 2.1294 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5805 1.7675 0.4547 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8720 1.7043 -0.5136 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8069 -0.4791 -1.3595 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3925 -2.4624 -1.1526 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6181 -2.2726 0.3242 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0188 -1.6847 1.9346 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9294 -1.3431 -0.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1416 -1.9362 0.7076 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 7 9 1 0 4 10 1 0 10 11 1 0 11 12 2 0 11 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 21 28 1 0 28 29 1 0 13 2 1 0 29 18 1 0 9 4 1 0 27 22 1 0 3 30 1 0 3 31 1 0 5 32 1 0 5 33 1 0 6 34 1 0 6 35 1 0 7 36 1 0 8 37 1 0 9 38 1 0 9 39 1 0 10 40 1 0 10 41 1 0 14 42 1 0 14 43 1 0 15 44 1 0 15 45 1 0 16 46 1 0 16 47 1 0 17 48 1 0 17 49 1 0 19 50 1 0 19 51 1 0 20 52 1 0 20 53 1 0 24 54 1 0 25 55 1 0 26 56 1 0 28 57 1 0 28 58 1 0 29 59 1 0 29 60 1 0 M END