HMDB0015634 RDKit 3D Saxagliptin 48 52 0 0 0 0 0 0 0 0999 V2000 2.9234 -2.6263 2.1765 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1856 -1.8284 1.3888 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5516 -0.8479 0.4480 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8556 0.5157 1.1354 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3583 1.2637 -0.0800 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4734 1.9596 -1.0134 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7100 0.5321 -1.2741 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7355 -0.4187 -0.5927 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4633 -0.5361 -1.1721 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2098 0.1758 -2.2384 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3186 -1.3384 -0.7920 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6411 -2.2276 0.2787 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9542 -0.5903 -0.5366 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0289 -1.5921 -0.1488 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2907 -0.9226 0.3311 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8333 -0.1715 -0.8728 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8126 0.8127 -1.3010 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5778 1.8025 -0.1835 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0253 1.0549 1.0099 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7108 1.9369 2.0373 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9653 -0.0236 1.4790 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7241 0.3736 0.6027 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4666 0.2205 -1.6826 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5805 -1.0701 -0.0228 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8844 0.8767 1.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6166 0.3971 1.9088 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4628 1.3586 -0.1111 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9314 2.7000 -1.6784 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4957 2.2938 -0.6085 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3308 0.1217 -2.0562 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0985 -1.9976 -1.6790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6132 -3.2369 0.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2978 -1.9933 1.2095 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2518 -2.1651 -1.0959 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5967 -2.3041 0.5507 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9720 -1.7037 0.6789 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7202 0.3751 -0.5303 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1178 -0.9094 -1.6330 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2371 1.3939 -2.1671 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4659 2.3802 0.0794 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7988 2.5125 -0.5175 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3122 1.7396 2.8066 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4158 -0.6267 2.2308 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8691 0.3830 1.9822 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2085 -0.0582 1.4542 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0585 1.1928 0.2021 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8181 1.1478 -1.7506 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5062 -0.3322 -2.6202 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 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 8 9 1 0 9 10 2 0 9 11 1 0 11 12 1 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 19 21 1 0 19 22 1 0 17 23 1 0 8 3 1 0 22 13 1 0 7 5 1 0 23 13 1 0 21 15 1 0 3 24 1 6 4 25 1 0 4 26 1 0 5 27 1 6 6 28 1 0 6 29 1 0 7 30 1 6 11 31 1 6 12 32 1 0 12 33 1 0 14 34 1 0 14 35 1 0 15 36 1 0 16 37 1 0 16 38 1 0 17 39 1 0 18 40 1 0 18 41 1 0 20 42 1 0 21 43 1 0 21 44 1 0 22 45 1 0 22 46 1 0 23 47 1 0 23 48 1 0 M END