HMDB0000186 RDKit 3D Alpha-Lactose 45 46 0 0 0 0 0 0 0 0999 V2000 2.0237 -2.8281 0.2178 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9726 -1.9056 0.6307 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2841 -0.6730 1.1893 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2245 0.2558 1.6050 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0423 0.7110 0.5900 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7289 1.8252 1.0828 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3248 1.0869 -0.6609 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7263 2.3226 -1.1775 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8497 1.2131 -0.3472 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1754 1.6098 -1.5010 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2912 -0.0890 0.2048 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1419 0.2273 0.8891 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0076 -0.3091 0.4124 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.8408 0.7395 -0.0028 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7105 0.2290 -0.9352 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.5134 1.3981 -1.5164 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6984 2.3247 -2.1182 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6100 -0.7685 -0.2942 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.9151 -0.2801 -0.3358 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2831 -1.0479 1.1520 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.8732 -0.1121 2.0044 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7926 -1.1265 1.4003 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4143 -2.4602 1.2433 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1076 -3.0975 -0.7206 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7225 -1.6804 -0.1277 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5092 -2.3729 1.4965 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7486 -1.0151 2.1004 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8405 -0.0345 0.3229 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7947 2.5507 0.4382 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4898 0.3506 -1.4963 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6420 2.3565 -2.1709 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7593 2.0187 0.4193 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6710 1.2263 -2.2855 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1336 -0.7535 -0.6650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8111 -0.9332 -0.4806 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0821 -0.2004 -1.7644 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0856 1.8183 -0.6416 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2633 0.9652 -2.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9529 3.2614 -1.9434 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5954 -1.7359 -0.8654 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1185 0.3144 0.4138 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7536 -2.0297 1.3976 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3516 0.0216 2.8385 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6275 -0.7826 2.4476 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9038 -2.5909 0.4089 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 5 7 1 0 7 8 1 0 7 9 1 0 9 10 1 0 9 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 15 18 1 0 18 19 1 0 18 20 1 0 20 21 1 0 20 22 1 0 22 23 1 0 11 3 1 0 22 13 1 0 1 24 1 0 2 25 1 0 2 26 1 0 3 27 1 1 5 28 1 6 6 29 1 0 7 30 1 6 8 31 1 0 9 32 1 1 10 33 1 0 11 34 1 6 13 35 1 6 15 36 1 6 16 37 1 0 16 38 1 0 17 39 1 0 18 40 1 6 19 41 1 0 20 42 1 1 21 43 1 0 22 44 1 1 23 45 1 0 M END