@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50447885 55 60 1 SMALL USER_CHARGES @ATOM 1 F1 30.7875 -7.4163 0.3481 F 1 noname -0.1287 2 C1 31.4964 -8.4352 -0.0448 C.2 1 noname 0.0774 3 N1 32.6803 -8.2312 -0.6757 N.2 1 noname -0.2395 4 C2 31.0454 -9.7462 0.1792 C.2 1 noname 0.0179 5 C3 33.4672 -9.2472 -1.1097 C.2 1 noname 0.0072 6 C4 31.8383 -10.8201 -0.2577 C.2 1 noname 0.0018 7 C5 33.0592 -10.5751 -0.9086 C.2 1 noname -0.0372 8 N2 31.4203 -12.1350 -0.0477 N.3 1 noname -0.1261 9 C6 32.0282 -13.2350 0.6923 C.3 1 noname 0.0314 10 C7 30.2673 -12.8890 -0.5326 C.3 1 noname 0.0314 11 C8 30.8622 -14.1049 0.1943 C.3 1 noname 0.0904 12 O1 31.1961 -15.1789 -0.6906 O.3 1 noname -0.2703 13 C9 31.9841 -16.2248 -0.3005 C.2 1 noname -0.0021 14 C10 32.3510 -16.4688 1.0394 C.2 1 noname -0.0294 15 C11 32.4601 -17.0838 -1.3065 C.2 1 noname -0.0531 16 C12 33.2210 -17.5287 1.3694 C.2 1 noname -0.0226 17 C13 33.2970 -18.1647 -0.9844 C.2 1 noname -0.0536 18 N3 33.5909 -17.7937 2.6464 N.3 1 noname -0.0066 19 C14 33.6719 -18.3877 0.3505 C.2 1 noname -0.0698 20 C15 34.1239 -16.9317 3.5564 C.2 1 noname 0.0218 21 C16 34.5428 -15.6067 3.3535 C.2 1 noname 0.0667 22 C17 34.4878 -17.2706 4.8645 C.2 1 noname 0.0619 23 O2 34.4488 -14.9266 2.3085 O.2 1 noname -0.2824 24 N4 35.1498 -15.1706 4.4555 N.3 1 noname 0.0817 25 C18 35.1528 -16.1416 5.3695 C.2 1 noname 0.0739 26 C19 34.2878 -18.4896 5.5735 C.2 1 noname -0.0147 27 O3 35.6487 -16.0026 6.5085 O.2 1 noname -0.2850 28 C20 33.3508 -19.5195 5.3975 C.2 1 noname -0.0236 29 C21 35.0637 -18.9055 6.6625 C.2 1 noname -0.0808 30 C22 33.6437 -20.5155 6.3326 C.2 1 noname -0.0830 31 C23 32.2198 -19.6645 4.5676 C.2 1 noname -0.0371 32 N5 34.6797 -20.1214 7.0785 N.3 1 noname -0.0528 33 C24 32.8947 -21.6984 6.4256 C.2 1 noname -0.0434 34 C25 31.4567 -20.8474 4.6416 C.2 1 noname -0.0536 35 C26 31.7987 -21.8623 5.5586 C.2 1 noname -0.0511 36 H1 30.1574 -9.9171 0.6522 H 1 noname 0.0687 37 H2 34.3512 -9.0471 -1.5796 H 1 noname 0.0840 38 H3 33.6412 -11.3491 -1.2306 H 1 noname 0.0655 39 H4 33.0181 -13.5319 0.3433 H 1 noname 0.0462 40 H5 32.0752 -13.0989 1.7733 H 1 noname 0.0462 41 H6 29.3032 -12.5450 -0.1576 H 1 noname 0.0462 42 H7 30.2012 -12.9750 -1.6175 H 1 noname 0.0462 43 H8 30.2102 -14.4889 0.9803 H 1 noname 0.0636 44 H9 31.9990 -15.8627 1.7804 H 1 noname 0.0666 45 H10 32.1990 -16.9197 -2.2794 H 1 noname 0.0650 46 H11 33.6369 -18.7856 -1.7203 H 1 noname 0.0624 47 H12 33.5149 -18.7176 2.9254 H 1 noname 0.1343 48 H13 34.2798 -19.1766 0.5785 H 1 noname 0.0639 49 H14 35.5437 -14.2926 4.5705 H 1 noname 0.1407 50 H15 35.8467 -18.3885 7.0615 H 1 noname 0.0795 51 H16 31.9257 -18.9235 3.9356 H 1 noname 0.0629 52 H17 35.0787 -20.6244 7.8045 H 1 noname 0.1522 53 H18 33.1327 -22.4163 7.1106 H 1 noname 0.0642 54 H19 30.6437 -20.9644 4.0377 H 1 noname 0.0622 55 H20 31.2367 -22.7133 5.6067 H 1 noname 0.0623 @BOND 1 1 2 1 2 2 3 2 3 2 4 1 4 3 5 1 5 4 6 2 6 4 36 1 7 5 7 2 8 5 37 1 9 6 8 1 10 6 7 1 11 7 38 1 12 8 9 1 13 8 10 1 14 9 11 1 15 9 39 1 16 9 40 1 17 10 11 1 18 10 41 1 19 10 42 1 20 11 12 1 21 11 43 1 22 12 13 1 23 13 14 2 24 13 15 1 25 14 16 1 26 14 44 1 27 15 17 2 28 15 45 1 29 16 18 1 30 16 19 2 31 17 19 1 32 17 46 1 33 18 20 1 34 18 47 1 35 19 48 1 36 20 21 1 37 20 22 2 38 21 23 2 39 21 24 1 40 22 25 1 41 22 26 1 42 24 25 1 43 24 49 1 44 25 27 2 45 26 28 1 46 26 29 2 47 28 30 2 48 28 31 1 49 29 32 1 50 29 50 1 51 30 33 1 52 30 32 1 53 31 34 2 54 31 51 1 55 32 52 1 56 33 35 2 57 33 53 1 58 34 35 1 59 34 54 1 60 35 55 1 @SUBSTRUCTURE 1 noname 1