@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50442765 38 40 1 SMALL USER_CHARGES @ATOM 1 F1 14.6686 -21.9698 2.3757 F 1 noname -0.1655 2 C1 13.5505 -22.5547 2.0487 C.2 1 noname 0.0234 3 C2 12.4594 -21.7887 1.6027 C.2 1 noname -0.0050 4 C3 13.4345 -23.9527 2.1378 C.2 1 noname -0.0050 5 C4 11.2554 -22.4206 1.2498 C.2 1 noname -0.0324 6 C5 12.2284 -24.5817 1.7848 C.2 1 noname -0.0324 7 C6 11.1263 -23.8226 1.3388 C.2 1 noname -0.0448 8 C7 9.8553 -24.4866 0.9689 C.3 1 noname 0.0875 9 O1 9.5692 -24.1616 -0.3890 O.3 1 noname -0.3876 10 C8 8.6642 -24.0745 1.8779 C.3 1 noname 0.0325 11 C9 7.3912 -24.6735 1.3940 C.2 1 noname -0.0526 12 C10 8.9282 -24.4535 3.3570 C.3 1 noname -0.0033 13 C11 6.3291 -23.8414 0.9790 C.2 1 noname -0.0575 14 C12 7.2151 -26.0735 1.3500 C.2 1 noname -0.0575 15 N1 7.8601 -24.0445 4.2011 N.3 1 noname 0.0217 16 C13 5.1191 -24.3964 0.5291 C.2 1 noname -0.0609 17 C14 6.0061 -26.6295 0.9000 C.2 1 noname -0.0609 18 N2 7.4811 -22.8154 4.3681 N.2 1 noname -0.2171 19 C15 7.0841 -24.8414 4.9451 C.2 1 noname -0.0261 20 C16 4.9570 -25.7904 0.4901 C.2 1 noname -0.0639 21 N3 6.4790 -22.7554 5.1922 N.2 1 noname -0.1615 22 C17 6.1910 -24.0034 5.5822 C.2 1 noname 0.0570 23 H1 12.5384 -20.7736 1.5348 H 1 noname 0.0653 24 H2 14.2234 -24.5137 2.4598 H 1 noname 0.0653 25 H3 10.4683 -21.8576 0.9248 H 1 noname 0.0627 26 H4 12.1544 -25.5976 1.8558 H 1 noname 0.0627 27 H5 9.9782 -25.5706 1.0299 H 1 noname 0.0658 28 H6 10.2722 -24.4165 -1.0220 H 1 noname 0.2109 29 H7 8.5772 -22.9855 1.8380 H 1 noname 0.0399 30 H8 9.8312 -23.9495 3.7031 H 1 noname 0.0498 31 H9 9.0901 -25.5305 3.4351 H 1 noname 0.0498 32 H10 6.4351 -22.8274 1.0071 H 1 noname 0.0625 33 H11 7.9691 -26.6915 1.6481 H 1 noname 0.0625 34 H12 4.3580 -23.7853 0.2311 H 1 noname 0.0622 35 H13 5.8890 -27.6434 0.8731 H 1 noname 0.0622 36 H14 7.1360 -25.8574 5.0212 H 1 noname 0.0826 37 H15 4.0780 -26.1933 0.1642 H 1 noname 0.0622 38 H16 5.4510 -24.2813 6.2273 H 1 noname 0.0873 @BOND 1 1 2 1 2 2 3 2 3 2 4 1 4 3 5 1 5 3 23 1 6 4 6 2 7 4 24 1 8 5 7 2 9 5 25 1 10 6 7 1 11 6 26 1 12 7 8 1 13 8 9 1 14 8 10 1 15 8 27 1 16 9 28 1 17 10 11 1 18 10 12 1 19 10 29 1 20 11 13 2 21 11 14 1 22 12 15 1 23 12 30 1 24 12 31 1 25 13 16 1 26 13 32 1 27 14 17 2 28 14 33 1 29 15 18 1 30 15 19 1 31 16 20 2 32 16 34 1 33 17 20 1 34 17 35 1 35 18 21 2 36 19 22 2 37 19 36 1 38 20 37 1 39 21 22 1 40 22 38 1 @SUBSTRUCTURE 1 noname 1