HMDB0015327 RDKit 3D Estramustine 60 63 0 0 0 0 0 0 0 0999 V2000 4.6328 -1.5733 1.2700 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5628 -0.1363 0.9046 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8008 0.7151 1.8596 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3480 0.2948 1.7977 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7995 0.5706 0.4239 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3691 0.2936 0.3044 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4800 0.0354 1.3664 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8186 -0.2123 1.1152 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3578 -0.2155 -0.1521 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6898 -0.4599 -0.4265 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6500 0.5440 -0.4825 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2649 1.7194 -0.2704 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0209 0.2764 -0.7668 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.9407 1.3729 -0.8041 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5736 1.6955 0.5239 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6928 3.0881 0.3395 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -6.4824 -1.0618 -1.0328 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9045 -1.8201 0.1796 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5637 -1.9781 1.3386 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.5115 0.0424 -1.2166 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1782 0.2891 -0.9666 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7535 0.5690 -2.0898 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0535 -0.1865 -1.9659 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5675 -0.3120 -0.5726 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9779 0.1083 -0.4828 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9571 -0.5901 -1.3443 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2794 -0.0451 -0.7850 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9849 0.3504 0.6563 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8400 -0.3935 1.4806 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6602 -1.6796 2.3748 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8347 -2.2097 0.8995 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5978 -2.0261 0.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1911 0.5157 2.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9246 1.7688 1.5859 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8136 0.8253 2.5844 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2566 -0.7837 1.9874 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9875 1.6243 0.1539 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0538 0.0395 2.3497 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4914 -0.4165 1.9519 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7479 1.2395 -1.5562 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3894 2.2959 -1.1349 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2116 0.8625 0.8684 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8290 1.9102 1.3019 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3927 -0.9766 -1.6956 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7083 -1.6674 -1.5562 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1658 -2.8579 -0.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7967 -1.4568 0.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8843 0.0529 -2.2467 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3094 0.3054 -3.0716 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9959 1.6648 -2.0788 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7759 0.3020 -2.6549 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8648 -1.2004 -2.4262 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3740 -1.3529 -0.2347 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0445 1.1975 -0.6525 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9785 -1.6946 -1.1247 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8598 -0.3824 -2.4232 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4728 0.8976 -1.3304 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0867 -0.7842 -0.8557 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0763 1.4301 0.8252 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7688 -0.4240 1.1157 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 1 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 11 12 2 0 11 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 13 17 1 0 17 18 1 0 18 19 1 0 9 20 1 0 20 21 2 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 25 2 1 0 28 2 1 0 24 5 1 0 21 6 1 0 1 30 1 0 1 31 1 0 1 32 1 0 3 33 1 0 3 34 1 0 4 35 1 0 4 36 1 0 5 37 1 6 7 38 1 0 8 39 1 0 14 40 1 0 14 41 1 0 15 42 1 0 15 43 1 0 17 44 1 0 17 45 1 0 18 46 1 0 18 47 1 0 20 48 1 0 22 49 1 0 22 50 1 0 23 51 1 0 23 52 1 0 24 53 1 1 25 54 1 6 26 55 1 0 26 56 1 0 27 57 1 0 27 58 1 0 28 59 1 6 29 60 1 0 M END