HMDB0253442 RDKit 3D Incadronic acid 36 36 0 0 0 0 0 0 0 0999 V2000 -2.0445 -1.5230 1.6435 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4928 -1.2801 0.2226 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.1855 -2.5978 -0.7872 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2178 -1.2280 0.3391 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8768 0.2808 -0.4361 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7356 0.7555 0.1721 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5607 0.2865 -0.0087 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9510 -1.0870 0.3519 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1398 -1.6052 -0.4388 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1237 -0.5823 -0.8591 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7298 0.2100 0.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7323 0.7535 1.2345 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5001 1.3029 0.6211 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2124 1.5245 -0.1304 P 0 0 0 0 0 5 0 0 0 0 0 0 -3.0539 2.1433 1.2335 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1084 2.7602 -1.3063 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7101 0.7707 -0.3349 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8381 -2.6005 -1.5141 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4449 -2.1575 0.6565 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8494 0.2592 -1.5633 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7574 1.7921 0.2958 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7822 0.3939 -1.1301 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1737 -1.8677 0.2198 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2357 -1.2240 1.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7293 -2.0654 -1.3781 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5966 -2.4397 0.1186 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7262 0.0857 -1.6431 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9648 -1.1401 -1.3536 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2647 1.0665 -0.2041 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4591 -0.3932 0.7914 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5918 0.0932 2.1138 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2414 1.6592 1.6991 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9319 1.8043 1.4362 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8303 2.0865 -0.1142 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3567 2.5753 -1.9235 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3806 1.1873 0.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 2 4 1 0 2 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 5 14 1 0 14 15 2 0 14 16 1 0 14 17 1 0 13 7 1 0 3 18 1 0 4 19 1 0 5 20 1 0 6 21 1 0 7 22 1 0 8 23 1 0 8 24 1 0 9 25 1 0 9 26 1 0 10 27 1 0 10 28 1 0 11 29 1 0 11 30 1 0 12 31 1 0 12 32 1 0 13 33 1 0 13 34 1 0 16 35 1 0 17 36 1 0 M END