@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50442818 60 63 1 SMALL USER_CHARGES @ATOM 1 F1 5.7479 -3.6229 -0.7945 F 1 noname -0.1507 2 C1 6.4388 -2.7989 -0.0525 C.2 1 noname 0.0766 3 C2 7.6448 -3.1988 0.5645 C.2 1 noname 0.0471 4 C3 5.9658 -1.4879 0.1295 C.2 1 noname 0.0549 5 N1 8.0437 -4.4877 0.3395 N.3 1 noname -0.1249 6 C4 8.3417 -2.2558 1.3525 C.2 1 noname 0.0118 7 N2 6.6677 -0.6179 0.8945 N.2 1 noname -0.2431 8 C5 9.1366 -5.1627 0.7975 C.2 1 noname 0.0868 9 C6 7.8287 -0.9578 1.5045 C.2 1 noname -0.0013 10 O1 9.9685 -4.6337 1.5705 O.2 1 noname -0.2773 11 C7 9.3395 -6.5046 0.4016 C.2 1 noname -0.0051 12 C8 10.0395 -7.4045 1.2336 C.2 1 noname 0.0035 13 C9 8.8495 -6.9795 -0.8323 C.2 1 noname -0.0089 14 C10 10.2554 -8.7524 0.8626 C.2 1 noname -0.0156 15 C11 9.0645 -8.3084 -1.2222 C.2 1 noname -0.0322 16 C12 10.9244 -9.6003 1.7826 C.2 1 noname -0.0212 17 C13 9.7744 -9.2023 -0.3972 C.2 1 noname -0.0128 18 C14 12.2063 -9.2633 2.2717 C.2 1 noname 0.0088 19 C15 10.3093 -10.7803 2.2547 C.2 1 noname -0.0206 20 C16 10.0044 -10.5632 -0.9301 C.3 1 noname 0.0185 21 C17 12.8822 -10.0812 3.2057 C.2 1 noname 0.0015 22 C18 10.9663 -11.6062 3.1797 C.2 1 noname -0.0380 23 N3 8.7464 -11.3132 -0.9510 N.3 1 noname -0.3264 24 C19 14.1371 -9.7252 3.6737 C.2 1 noname 0.0884 25 C20 12.2422 -11.2591 3.6497 C.2 1 noname -0.0037 26 O2 14.7501 -10.4531 4.4437 O.2 1 noname -0.2582 27 O3 14.6881 -8.5702 3.2918 O.3 1 noname -0.2056 28 C21 15.9390 -8.1472 3.8398 C.3 1 noname 0.0830 29 C22 16.3219 -6.7852 3.2469 C.3 1 noname 0.0816 30 O4 17.5758 -6.3751 3.7919 O.3 1 noname -0.3756 31 C23 15.2499 -5.7291 3.5689 C.3 1 noname -0.0243 32 C24 18.0827 -5.1192 3.3400 C.3 1 noname 0.0472 33 C25 15.7048 -4.3532 3.0620 C.3 1 noname -0.0486 34 C26 17.0757 -4.0052 3.6610 C.3 1 noname -0.0295 35 H1 5.0948 -1.1869 -0.3104 H 1 noname 0.0871 36 H2 7.4557 -5.0017 -0.2333 H 1 noname 0.1375 37 H3 9.2156 -2.4908 1.8165 H 1 noname 0.0656 38 H4 8.3276 -0.2718 2.0705 H 1 noname 0.0839 39 H5 10.3844 -7.0725 2.1386 H 1 noname 0.0637 40 H6 8.3405 -6.3575 -1.4632 H 1 noname 0.0630 41 H7 8.7105 -8.6254 -2.1261 H 1 noname 0.0626 42 H8 12.6562 -8.4073 1.9407 H 1 noname 0.0637 43 H9 9.3773 -11.0412 1.9307 H 1 noname 0.0629 44 H10 10.3923 -10.4942 -1.9490 H 1 noname 0.0476 45 H11 10.7323 -11.1192 -0.3421 H 1 noname 0.0476 46 H12 10.5142 -12.4581 3.5127 H 1 noname 0.0623 47 H13 8.4413 -11.4071 0.0199 H 1 noname 0.1187 48 H14 8.9673 -12.2531 -1.2850 H 1 noname 0.1187 49 H15 12.7032 -11.8711 4.3247 H 1 noname 0.0631 50 H16 15.8589 -8.0601 4.9248 H 1 noname 0.0600 51 H17 16.7139 -8.8751 3.5939 H 1 noname 0.0600 52 H18 16.4149 -6.8861 2.1640 H 1 noname 0.0627 53 H19 15.0978 -5.6831 4.6479 H 1 noname 0.0294 54 H20 14.3099 -6.0001 3.0870 H 1 noname 0.0294 55 H21 19.0267 -4.9101 3.8430 H 1 noname 0.0566 56 H22 18.2547 -5.1592 2.2630 H 1 noname 0.0566 57 H23 15.7788 -4.3741 1.9741 H 1 noname 0.0268 58 H24 14.9758 -3.5971 3.3560 H 1 noname 0.0268 59 H25 17.4287 -3.0622 3.2450 H 1 noname 0.0290 60 H26 16.9827 -3.9061 4.7440 H 1 noname 0.0290 @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 35 1 8 5 8 1 9 5 36 1 10 6 9 2 11 6 37 1 12 7 9 1 13 8 10 2 14 8 11 1 15 9 38 1 16 11 12 2 17 11 13 1 18 12 14 1 19 12 39 1 20 13 15 2 21 13 40 1 22 14 16 1 23 14 17 2 24 15 17 1 25 15 41 1 26 16 18 2 27 16 19 1 28 17 20 1 29 18 21 1 30 18 42 1 31 19 22 2 32 19 43 1 33 20 23 1 34 20 44 1 35 20 45 1 36 21 24 1 37 21 25 2 38 22 25 1 39 22 46 1 40 23 47 1 41 23 48 1 42 24 26 2 43 24 27 1 44 25 49 1 45 27 28 1 46 28 29 1 47 28 50 1 48 28 51 1 49 29 30 1 50 29 31 1 51 29 52 1 52 30 32 1 53 31 33 1 54 31 53 1 55 31 54 1 56 32 34 1 57 32 55 1 58 32 56 1 59 33 34 1 60 33 57 1 61 33 58 1 62 34 59 1 63 34 60 1 @SUBSTRUCTURE 1 noname 1