HMDB0256179 RDKit 3D 3-Quinolinecarboxylic acid, 7-(3-amino-1-pyrrolidinyl)-1-cyclopropyl-6,8-difl... 42 45 0 0 0 0 0 0 0 0999 V2000 5.5551 -1.4334 -0.4921 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5444 -0.4083 -0.7723 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5702 0.6029 0.3542 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2131 0.4768 1.0382 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3599 0.0136 -0.0500 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0415 0.4667 -0.3064 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8585 1.5478 -1.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9333 2.1622 -1.7002 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.4283 2.0090 -1.4040 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5184 1.3838 -0.8332 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8012 1.8361 -1.0887 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9972 2.8278 -1.8501 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8833 1.2264 -0.5281 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2255 1.6740 -0.7752 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1935 1.0925 -0.2454 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4521 2.7755 -1.6201 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6662 0.1412 0.3047 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4280 -0.3259 0.5749 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1634 -1.4585 1.4361 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2775 -2.5216 1.5073 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0143 -2.7820 0.7779 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3703 0.2856 0.0152 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0794 -0.1274 0.2423 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1328 -1.1759 1.0526 F 0 0 0 0 0 0 0 0 0 0 0 0 3.1622 -0.9679 -0.7543 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4796 -1.0010 -0.7919 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6245 -1.4960 0.5603 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8188 0.0421 -1.7513 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7157 1.6115 -0.0816 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4075 0.4231 1.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2994 -0.3463 1.7563 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8860 1.4272 1.4601 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5694 2.8528 -2.0539 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2509 3.7141 -1.2876 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4919 -0.3843 0.7834 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7210 -1.2668 2.4359 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2085 -2.3695 0.9679 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3982 -3.0918 2.4478 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1070 -2.8058 -0.3281 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3008 -3.5376 1.1573 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7611 -1.1785 -1.7679 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1827 -1.9143 -0.1720 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 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 7 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 11 13 1 0 13 14 1 0 14 15 2 0 14 16 1 0 13 17 2 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 18 22 1 0 22 23 2 0 23 24 1 0 5 25 1 0 25 2 1 0 23 6 1 0 22 10 1 0 21 19 1 0 1 26 1 0 1 27 1 0 2 28 1 0 3 29 1 0 3 30 1 0 4 31 1 0 4 32 1 0 9 33 1 0 16 34 1 0 17 35 1 0 19 36 1 0 20 37 1 0 20 38 1 0 21 39 1 0 21 40 1 0 25 41 1 0 25 42 1 0 M END