HMDB0251589 RDKit 3D Doravirine 40 42 0 0 0 0 0 0 0 0999 V2000 -4.9998 -0.5315 -0.2438 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3899 0.7184 0.1859 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.9595 1.9246 -0.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1343 2.1771 -0.7930 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1296 2.8298 0.4493 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1105 2.2200 1.0334 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2581 0.8781 0.8767 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3376 -0.1903 1.3770 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3444 -0.4193 0.3459 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5315 -1.3332 -0.6220 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5986 -1.5676 -1.6120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5891 -0.8419 -1.6294 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6203 -1.0543 -2.6739 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8689 0.0962 -3.4070 F 0 0 0 0 0 0 0 0 0 0 0 0 1.1185 -1.9926 -3.5659 F 0 0 0 0 0 0 0 0 0 0 0 0 2.8068 -1.5295 -2.2147 F 0 0 0 0 0 0 0 0 0 0 0 0 0.7558 0.0887 -0.6256 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9301 0.8457 -0.5936 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0272 0.4060 0.1325 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0453 -0.7587 0.8691 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1603 -1.1425 1.5675 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2137 -2.6255 2.5179 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.2931 -0.3675 1.5478 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3116 0.8171 0.8137 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4893 1.6315 0.7877 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4497 2.2800 0.7788 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1777 1.1802 0.1205 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2088 0.3051 0.3664 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0015 1.1771 1.2682 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6798 -1.3014 0.5147 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5547 -0.8555 -1.2087 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0972 -0.4688 -0.2671 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0794 2.4016 -1.7913 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8269 0.2581 2.2751 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8822 -1.1131 1.6471 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4712 -1.8947 -0.5913 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7607 -2.3047 -2.3842 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1529 -1.3643 0.8816 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1633 -0.6723 2.0961 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1829 2.0940 -0.4495 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 3 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 1 0 13 15 1 0 13 16 1 0 12 17 2 0 17 18 1 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 1 0 21 23 2 0 23 24 1 0 24 25 1 0 25 26 3 0 24 27 2 0 17 28 1 0 28 29 2 0 7 2 1 0 28 9 1 0 27 19 1 0 1 30 1 0 1 31 1 0 1 32 1 0 4 33 1 0 8 34 1 0 8 35 1 0 10 36 1 0 11 37 1 0 20 38 1 0 23 39 1 0 27 40 1 0 M END