HMDB0253366 RDKit 3D Iclaprim 48 51 0 0 0 0 0 0 0 0999 V2000 0.3215 -5.0839 0.7684 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5456 -4.0117 0.8996 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4361 -2.7333 0.4176 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6366 -2.3171 -0.3367 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7373 -0.9974 -0.8384 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9762 -0.6626 -1.6052 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9757 0.0425 -0.7822 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5653 -0.7275 0.2246 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3704 -0.1856 1.1190 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6566 1.1578 1.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5008 1.6737 2.0933 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0895 1.8836 0.1275 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2597 1.3819 -0.8206 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7765 2.1947 -1.8755 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2945 -0.1792 -0.5244 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3969 -0.5632 0.2409 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4642 -1.8606 0.7161 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5223 -2.3069 1.4785 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6674 -2.8386 0.8283 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4263 0.3201 0.5407 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5551 1.5728 -0.0758 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0133 2.6609 0.8647 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1638 4.0281 0.2395 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3762 3.2458 0.6954 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3821 1.9839 -0.8734 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3537 1.1720 -1.0755 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3426 -5.6328 1.7590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0272 -5.8229 -0.0161 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3790 -4.7501 0.5701 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4323 -3.0139 -0.5615 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3978 -1.5927 -2.0821 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7293 0.0138 -2.4627 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3268 -1.7900 0.2318 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3913 2.0999 1.8037 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2470 1.6304 3.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2505 3.0795 -1.7816 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9782 1.8683 -2.8701 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6115 -2.7539 -0.2721 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5265 -2.1822 1.1159 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8424 -3.8844 1.0755 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3698 1.4115 -0.8699 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5911 2.6150 1.8772 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1008 4.1503 -0.8412 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8674 4.9009 0.8393 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9961 2.7002 -0.0579 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9107 3.6472 1.5497 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4240 2.9844 -1.2806 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4699 1.4709 -1.6876 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 10 12 1 0 12 13 2 0 13 14 1 0 5 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 16 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 21 25 1 0 25 26 2 0 17 3 1 0 24 22 1 0 13 7 1 0 26 15 1 0 1 27 1 0 1 28 1 0 1 29 1 0 4 30 1 0 6 31 1 0 6 32 1 0 8 33 1 0 11 34 1 0 11 35 1 0 14 36 1 0 14 37 1 0 19 38 1 0 19 39 1 0 19 40 1 0 21 41 1 0 22 42 1 0 23 43 1 0 23 44 1 0 24 45 1 0 24 46 1 0 25 47 1 0 26 48 1 0 M END