HMDB0013888 RDKit 3D E-10-Hydroxyamitriptyline 45 47 0 0 0 0 0 0 0 0999 V2000 4.7568 1.1529 0.1319 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4481 0.4340 0.2675 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8578 -0.6857 1.1677 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0728 -0.0867 -1.0163 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6642 -0.5147 -1.1068 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6396 0.5179 -0.9102 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4757 0.3017 -0.3147 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7225 -1.0672 0.1961 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4165 -1.4857 0.8224 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3818 -2.7730 1.3185 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7739 -3.5608 1.1683 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8941 -3.0518 0.5186 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8996 -1.7739 0.0082 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1365 -1.3144 -0.6458 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6854 -0.0001 -0.2556 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3942 -0.1534 0.9536 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8391 1.1801 -0.2594 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6061 2.3413 -0.2389 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0124 3.6065 -0.2194 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6214 3.7491 -0.2193 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8282 2.6035 -0.2395 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4784 1.4114 -0.2590 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9649 1.6037 1.1181 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4769 0.3531 -0.1295 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6610 1.8621 -0.6954 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9359 -0.6835 1.3467 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6063 -1.6253 0.6499 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2955 -0.6020 2.1404 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3117 0.7636 -1.7452 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8256 -0.8287 -1.2961 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6227 -0.5325 -2.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3909 -1.5670 -1.1507 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8320 1.5058 -1.3138 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2225 -0.8441 0.9819 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2410 -3.1957 1.8281 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8091 -4.5732 1.5546 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8001 -3.6459 0.3927 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0511 -1.4222 -1.7576 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9264 -2.0684 -0.3437 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5125 0.2084 -1.0043 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8982 0.2148 1.7155 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6890 2.3348 -0.2368 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6210 4.4946 -0.2044 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1855 4.7219 -0.2042 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2360 2.6945 -0.2169 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 7 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 1 0 15 16 1 0 15 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 7 1 0 13 8 1 0 22 17 1 0 1 23 1 0 1 24 1 0 1 25 1 0 3 26 1 0 3 27 1 0 3 28 1 0 4 29 1 0 4 30 1 0 5 31 1 0 5 32 1 0 6 33 1 0 9 34 1 0 10 35 1 0 11 36 1 0 12 37 1 0 14 38 1 0 14 39 1 0 15 40 1 0 16 41 1 0 18 42 1 0 19 43 1 0 20 44 1 0 21 45 1 0 M END