HMDB0255520 RDKit 3D Neocuproine 28 30 0 0 0 0 0 0 0 0999 V2000 3.5777 2.1165 0.3121 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7740 0.8533 0.2164 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4024 -0.3802 0.2122 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6565 -1.5383 0.1239 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2752 -1.5007 0.0381 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5068 -2.6448 -0.0511 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8723 -2.5957 -0.1364 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4694 -1.3527 -0.1298 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8468 -1.2891 -0.2144 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4116 -0.0270 -0.2051 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5991 1.1060 -0.1136 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2929 2.4206 -0.1106 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2592 1.0102 -0.0324 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6970 -0.2041 -0.0402 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6849 -0.2531 0.0452 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4303 0.8727 0.1323 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8574 2.9438 0.4218 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3412 2.0606 1.0894 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0607 2.2583 -0.6983 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4840 -0.3987 0.2797 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1257 -2.5160 0.1187 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0032 -3.6019 -0.0539 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4196 -3.5259 -0.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4675 -2.1625 -0.2847 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4971 0.0754 -0.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5282 3.2009 0.0901 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6876 2.6160 -1.1308 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1318 2.4564 0.5953 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 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 11 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 2 1 0 15 5 1 0 14 8 1 0 1 17 1 0 1 18 1 0 1 19 1 0 3 20 1 0 4 21 1 0 6 22 1 0 7 23 1 0 9 24 1 0 10 25 1 0 12 26 1 0 12 27 1 0 12 28 1 0 M END