@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50446982 42 45 1 SMALL USER_CHARGES @ATOM 1 F1 1.9789 -22.6213 -0.6880 F 1 noname -0.1490 2 C1 2.7739 -21.5893 -0.6489 C.2 1 noname 0.0914 3 C2 2.8738 -20.7042 -1.7328 C.2 1 noname 0.0702 4 C3 3.5648 -21.3182 0.4770 C.2 1 noname 0.0702 5 N1 3.7107 -19.6403 -1.6658 N.2 1 noname -0.1930 6 N2 4.3837 -20.2392 0.4890 N.2 1 noname -0.1930 7 C4 4.4686 -19.3942 -0.5698 C.2 1 noname 0.0640 8 C5 5.3686 -18.2292 -0.5298 C.3 1 noname 0.0715 9 N3 4.9895 -17.3922 0.5591 N.3 1 noname -0.0629 10 C6 6.8325 -18.6922 -0.3937 C.3 1 noname -0.0420 11 C7 5.4525 -16.1402 0.7382 C.2 1 noname 0.0775 12 N4 6.3314 -15.5772 -0.1346 N.2 1 noname -0.2728 13 N5 5.0234 -15.4272 1.8102 N.2 1 noname -0.2637 14 C8 6.8234 -14.3162 0.0033 C.2 1 noname 0.0391 15 C9 5.4794 -14.1672 1.9942 C.2 1 noname 0.0843 16 N6 7.7013 -13.7662 -0.8725 N.3 1 noname 0.0382 17 C10 6.3793 -13.5822 1.1123 C.2 1 noname -0.0611 18 N7 5.1993 -13.2852 2.9652 N.3 1 noname -0.0095 19 C11 8.1972 -14.3761 -1.9744 C.2 1 noname 0.0348 20 C12 6.6443 -12.3022 1.5783 C.2 1 noname -0.0350 21 C13 5.8883 -12.1512 2.7382 C.2 1 noname -0.1075 22 N8 7.9372 -15.6170 -2.4214 N.2 1 noname -0.2137 23 C14 9.0921 -13.7861 -2.8563 C.2 1 noname -0.1114 24 C15 8.6521 -15.7850 -3.5463 C.2 1 noname -0.0438 25 N9 9.3591 -14.6770 -3.8203 N.3 1 noname -0.0743 26 C16 10.2270 -14.4970 -4.9302 C.3 1 noname -0.0673 27 H1 2.3178 -20.8592 -2.5748 H 1 noname 0.0872 28 H2 3.5257 -21.9332 1.2910 H 1 noname 0.0872 29 H3 5.2615 -17.6772 -1.4657 H 1 noname 0.0550 30 H4 4.3435 -17.7331 1.1972 H 1 noname 0.1320 31 H5 6.9784 -19.2051 0.5572 H 1 noname 0.0251 32 H6 7.5004 -17.8322 -0.4387 H 1 noname 0.0251 33 H7 7.0854 -19.3691 -1.2106 H 1 noname 0.0251 34 H8 7.9992 -12.8611 -0.6944 H 1 noname 0.1373 35 H9 4.5963 -13.4411 3.7082 H 1 noname 0.1537 36 H10 7.2652 -11.6102 1.1574 H 1 noname 0.0644 37 H11 5.8602 -11.3152 3.3223 H 1 noname 0.0789 38 H12 9.4761 -12.8441 -2.7833 H 1 noname 0.0825 39 H13 8.6541 -16.6359 -4.1102 H 1 noname 0.1015 40 H14 9.6649 -14.6139 -5.8571 H 1 noname 0.0436 41 H15 11.0219 -15.2439 -4.8981 H 1 noname 0.0436 42 H16 10.6779 -13.5029 -4.9141 H 1 noname 0.0436 @BOND 1 1 2 1 2 2 3 2 3 2 4 1 4 3 5 1 5 3 27 1 6 4 6 2 7 4 28 1 8 5 7 2 9 6 7 1 10 7 8 1 11 8 9 1 12 8 10 1 13 8 29 1 14 9 11 1 15 9 30 1 16 10 31 1 17 10 32 1 18 10 33 1 19 11 12 2 20 11 13 1 21 12 14 1 22 13 15 2 23 14 16 1 24 14 17 2 25 15 18 1 26 15 17 1 27 16 19 1 28 16 34 1 29 17 20 1 30 18 21 1 31 18 35 1 32 19 22 1 33 19 23 2 34 20 21 2 35 20 36 1 36 21 37 1 37 22 24 2 38 23 25 1 39 23 38 1 40 24 25 1 41 24 39 1 42 25 26 1 43 26 40 1 44 26 41 1 45 26 42 1 @SUBSTRUCTURE 1 noname 1