@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50444212 60 65 1 SMALL USER_CHARGES @ATOM 1 F1 9.8255 -12.7952 -1.8208 F 1 noname -0.1533 2 C1 10.2975 -11.5812 -1.7558 C.2 1 noname 0.0646 3 C2 10.0094 -10.7491 -0.6507 C.2 1 noname 0.0522 4 C3 11.1214 -11.1141 -2.7947 C.2 1 noname 0.0265 5 O1 9.2334 -11.1491 0.4002 O.3 1 noname -0.1624 6 C4 10.5844 -9.4661 -0.5877 C.2 1 noname 0.0014 7 C5 11.6744 -9.8170 -2.7437 C.2 1 noname -0.0116 8 C6 7.9333 -11.5371 0.2483 C.2 1 noname 0.0829 9 C7 11.4114 -9.0040 -1.6256 C.2 1 noname -0.0277 10 N1 12.5064 -9.3360 -3.7037 N.3 1 noname -0.1346 11 N2 7.2413 -11.3720 -0.9136 N.2 1 noname -0.2374 12 C8 7.2693 -12.1240 1.3433 C.2 1 noname 0.0639 13 C9 12.3133 -9.4070 -5.0506 C.2 1 noname 0.1220 14 N3 5.9972 -11.7570 -1.0166 N.3 1 noname -0.0580 15 C10 5.9292 -12.5330 1.2203 C.2 1 noname 0.0354 16 O2 11.2642 -9.9409 -5.4866 O.2 1 noname -0.2702 17 C11 13.2573 -8.8769 -5.9756 C.2 1 noname 0.1097 18 C12 5.3052 -12.3280 -0.0155 C.2 1 noname 0.0129 19 C13 5.1812 -11.6779 -2.0726 C.2 1 noname -0.0470 20 C14 14.4903 -8.2679 -5.5815 C.2 1 noname 0.1299 21 C15 12.9923 -8.9439 -7.3555 C.2 1 noname 0.0162 22 N4 4.0531 -12.6209 -0.4005 N.2 1 noname -0.1942 23 C16 3.9601 -12.2219 -1.6845 C.2 1 noname 0.0568 24 O3 14.7873 -8.1829 -4.3655 O.2 1 noname -0.2667 25 N5 15.3693 -7.7729 -6.5305 N.3 1 noname -0.1228 26 C17 13.8923 -8.4348 -8.3065 C.2 1 noname -0.0258 27 N6 2.8860 -12.3139 -2.5005 N.3 1 noname -0.1063 28 C18 16.5502 -7.1988 -6.1605 C.2 1 noname -0.0181 29 C19 15.0822 -7.8498 -7.8715 C.2 1 noname -0.0163 30 C20 1.6850 -12.8358 -2.1604 C.2 1 noname 0.1374 31 C21 16.6022 -5.8308 -5.8194 C.2 1 noname -0.0309 32 C22 17.7292 -7.9698 -6.1064 C.2 1 noname -0.0309 33 O4 1.4319 -13.2928 -1.0234 O.2 1 noname -0.2736 34 C23 0.6269 -12.8628 -3.1714 C.3 1 noname 0.0331 35 C24 17.8192 -5.2427 -5.4304 C.2 1 noname -0.0528 36 C25 18.9452 -7.3808 -5.7184 C.2 1 noname -0.0528 37 C26 0.8449 -13.6057 -4.4944 C.3 1 noname -0.0414 38 C27 -0.1630 -14.1388 -3.4764 C.3 1 noname -0.0414 39 C28 18.9902 -6.0177 -5.3814 C.2 1 noname -0.0586 40 H1 11.3294 -11.7231 -3.5867 H 1 noname 0.0671 41 H2 10.3994 -8.8660 0.2162 H 1 noname 0.0651 42 H3 11.8203 -8.0710 -1.5646 H 1 noname 0.0640 43 H4 13.2913 -8.8619 -3.3936 H 1 noname 0.1374 44 H5 7.7622 -12.2570 2.2274 H 1 noname 0.0669 45 H6 5.4312 -12.9619 1.9994 H 1 noname 0.0661 46 H7 5.4121 -11.2939 -2.9886 H 1 noname 0.0848 47 H8 12.1262 -9.3699 -7.6925 H 1 noname 0.0632 48 H9 13.6792 -8.4938 -9.3035 H 1 noname 0.0633 49 H10 2.9840 -11.9808 -3.4055 H 1 noname 0.1386 50 H11 15.7331 -7.4828 -8.5704 H 1 noname 0.0760 51 H12 15.7542 -5.2637 -5.8504 H 1 noname 0.0639 52 H13 17.7022 -8.9608 -6.3474 H 1 noname 0.0639 53 H14 0.1269 -11.8947 -3.1823 H 1 noname 0.0397 54 H15 17.8512 -4.2536 -5.1823 H 1 noname 0.0623 55 H16 19.7952 -7.9437 -5.6813 H 1 noname 0.0623 56 H17 1.7649 -14.1607 -4.6794 H 1 noname 0.0274 57 H18 0.4898 -13.1747 -5.4304 H 1 noname 0.0274 58 H19 0.0459 -15.0627 -2.9363 H 1 noname 0.0274 59 H20 -1.2321 -14.0757 -3.6813 H 1 noname 0.0274 60 H21 19.8731 -5.5906 -5.0983 H 1 noname 0.0622 @BOND 1 1 2 1 2 2 3 2 3 2 4 1 4 3 5 1 5 3 6 1 6 4 7 2 7 4 40 1 8 5 8 1 9 6 9 2 10 6 41 1 11 7 10 1 12 7 9 1 13 8 11 2 14 8 12 1 15 9 42 1 16 10 13 1 17 10 43 1 18 11 14 1 19 12 15 2 20 12 44 1 21 13 16 2 22 13 17 1 23 14 18 1 24 14 19 1 25 15 18 1 26 15 45 1 27 17 20 1 28 17 21 2 29 18 22 2 30 19 23 2 31 19 46 1 32 20 24 2 33 20 25 1 34 21 26 1 35 21 47 1 36 22 23 1 37 23 27 1 38 25 28 1 39 25 29 1 40 26 29 2 41 26 48 1 42 27 30 1 43 27 49 1 44 28 31 2 45 28 32 1 46 29 50 1 47 30 33 2 48 30 34 1 49 31 35 1 50 31 51 1 51 32 36 2 52 32 52 1 53 34 37 1 54 34 38 1 55 34 53 1 56 35 39 2 57 35 54 1 58 36 39 1 59 36 55 1 60 37 38 1 61 37 56 1 62 37 57 1 63 38 58 1 64 38 59 1 65 39 60 1 @SUBSTRUCTURE 1 noname 1