HMDB0248734 RDKit 3D Avagacestat 51 53 0 0 0 0 0 0 0 0999 V2000 0.6620 2.7617 -0.5991 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1563 1.6449 -0.9086 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0813 1.2015 -2.0731 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0739 0.9895 0.0957 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4739 1.2295 -0.2663 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9408 2.6409 -0.3034 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9959 3.2480 1.0453 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8655 2.4982 1.8588 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.5922 4.4892 0.9628 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.7867 3.4205 1.6286 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.7956 -0.4328 0.2164 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5419 -0.7811 0.3877 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7381 0.0024 0.4440 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2859 0.6558 1.5421 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6417 1.0096 1.5422 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4737 0.7597 0.5262 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9307 0.8030 0.5298 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7945 0.9348 -0.4347 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0573 0.6652 -0.0183 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9259 0.3572 1.2649 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6666 0.4208 1.6566 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9328 0.1048 -0.6322 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6382 -0.2322 -0.6114 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1559 -0.8175 -1.7702 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.3910 -1.3709 -1.1290 S 0 0 0 0 0 6 0 0 0 0 0 0 -1.6523 -0.6725 -2.3629 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2468 -2.3637 -1.4428 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7218 -2.4472 -0.6480 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0105 -1.9524 -0.6238 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0431 -2.8471 -0.2823 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7923 -4.1587 0.0133 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0908 -5.2744 0.4288 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.4782 -4.6700 -0.0129 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5046 -3.7674 -0.3491 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4980 3.3106 0.2844 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4329 3.0414 -1.2426 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7613 1.4675 1.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1758 0.6414 0.4210 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7480 0.8220 -1.2867 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9968 2.6471 -0.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3804 3.2905 -1.0424 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7176 -1.8284 -0.0514 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4860 -1.2073 1.5415 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6661 0.8656 2.3888 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0656 1.5051 2.4198 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8969 0.7130 -0.6623 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5877 -0.0585 -1.4511 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2584 -0.9370 -0.8504 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0316 -2.4668 -0.2856 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2767 -5.6781 0.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4730 -4.1775 -0.3681 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 7 9 1 0 7 10 1 0 4 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 1 0 16 22 1 0 22 23 2 0 23 24 1 0 11 25 1 0 25 26 2 0 25 27 2 0 25 28 1 0 28 29 2 0 29 30 1 0 30 31 2 0 31 32 1 0 31 33 1 0 33 34 2 0 23 13 1 0 34 28 1 0 21 17 2 0 1 35 1 0 1 36 1 0 4 37 1 0 5 38 1 0 5 39 1 0 6 40 1 0 6 41 1 0 12 42 1 0 12 43 1 0 14 44 1 0 15 45 1 0 19 46 1 0 22 47 1 0 29 48 1 0 30 49 1 0 33 50 1 0 34 51 1 0 M END