@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3534 39 41 1 SMALL USER_CHARGES @ATOM 1 F1 3.7526 3.5778 5.6764 F 1 noname -0.1661 2 C1 3.3595 4.8759 5.4524 C.3 1 noname 0.4161 3 F2 4.3895 5.6849 5.8725 F 1 noname -0.1661 4 F3 2.2805 5.1489 6.2595 F 1 noname -0.1661 5 C2 2.9885 5.0579 4.0234 C.2 1 noname -0.0115 6 C3 1.9444 4.2809 3.4715 C.2 1 noname -0.0240 7 C4 3.6424 5.9890 3.1845 C.2 1 noname -0.0486 8 C5 1.5654 4.4120 2.1185 C.2 1 noname -0.0219 9 C6 3.2634 6.1391 1.8415 C.2 1 noname -0.0535 10 N1 0.5523 3.6960 1.5666 N.3 1 noname 0.0047 11 C7 2.2233 5.3581 1.3125 C.2 1 noname -0.0553 12 C8 0.3513 2.3540 1.6876 C.2 1 noname 0.0373 13 N2 1.2132 1.5861 2.4037 N.2 1 noname -0.2424 14 C9 -0.7487 1.7371 1.0526 C.2 1 noname -0.0127 15 C10 1.0612 0.2491 2.5427 C.2 1 noname 0.0406 16 C11 -0.8847 0.3351 1.2117 C.2 1 noname 0.0462 17 C12 -1.7007 2.4361 0.2807 C.2 1 noname 0.0264 18 N3 0.0141 -0.3607 1.9448 N.2 1 noname -0.2520 19 C13 -1.9588 -0.3418 0.6107 C.2 1 noname 0.0378 20 C14 -2.7698 1.7552 -0.3302 C.2 1 noname 0.0453 21 C15 -2.9108 0.3622 -0.1461 C.2 1 noname 0.0600 22 O1 -3.6429 2.4882 -1.0742 O.3 1 noname -0.2654 23 O2 -3.9409 -0.3437 -0.6851 O.3 1 noname -0.2629 24 C16 -3.7999 2.1933 -2.4642 C.3 1 noname 0.0424 25 C17 -5.2760 -0.0577 -0.2591 C.3 1 noname 0.0424 26 H1 1.4533 3.6130 4.0665 H 1 noname 0.0645 27 H2 4.4004 6.5661 3.5505 H 1 noname 0.0628 28 H3 3.7423 6.8181 1.2485 H 1 noname 0.0623 29 H4 -0.0606 4.1821 0.9946 H 1 noname 0.1357 30 H5 1.9513 5.4771 0.3365 H 1 noname 0.0639 31 H6 1.7302 -0.2917 3.0908 H 1 noname 0.1062 32 H7 -1.6208 3.4452 0.1487 H 1 noname 0.0659 33 H8 -2.0558 -1.3508 0.7327 H 1 noname 0.0674 34 H9 -4.5030 2.9063 -2.8961 H 1 noname 0.0535 35 H10 -2.8429 2.2863 -2.9791 H 1 noname 0.0535 36 H11 -4.1930 1.1863 -2.6091 H 1 noname 0.0535 37 H12 -5.9600 -0.7347 -0.7720 H 1 noname 0.0535 38 H13 -5.3691 -0.2126 0.8169 H 1 noname 0.0535 39 H14 -5.5521 0.9683 -0.5030 H 1 noname 0.0535 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 2 5 1 5 5 6 2 6 5 7 1 7 6 8 1 8 6 26 1 9 7 9 2 10 7 27 1 11 8 10 1 12 8 11 2 13 9 11 1 14 9 28 1 15 10 12 1 16 10 29 1 17 11 30 1 18 12 13 2 19 12 14 1 20 13 15 1 21 14 16 1 22 14 17 2 23 15 18 2 24 15 31 1 25 16 19 2 26 16 18 1 27 17 20 1 28 17 32 1 29 19 21 1 30 19 33 1 31 20 22 1 32 20 21 2 33 21 23 1 34 22 24 1 35 23 25 1 36 24 34 1 37 24 35 1 38 24 36 1 39 25 37 1 40 25 38 1 41 25 39 1 @SUBSTRUCTURE 1 noname 1