@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3237 65 68 1 SMALL USER_CHARGES @ATOM 1 F1 8.5087 -11.1506 -0.4373 F 1 noname -0.1622 2 C1 9.2157 -9.9776 -0.5552 C.3 1 noname 0.4657 3 F2 8.8697 -9.1676 0.4987 F 1 noname -0.1622 4 F3 8.8296 -9.3646 -1.7212 F 1 noname -0.1622 5 C2 10.6776 -10.1945 -0.5672 C.2 1 noname 0.1848 6 O1 11.1185 -11.3634 -0.4731 O.2 1 noname -0.2382 7 N1 11.4765 -9.0935 -0.6831 N.3 1 noname -0.1067 8 C3 12.8444 -8.9495 -0.7411 C.2 1 noname 0.0250 9 C4 13.4464 -7.6485 -0.8550 C.2 1 noname 0.0307 10 C5 13.6874 -10.0894 -0.6910 C.2 1 noname -0.0366 11 C6 14.8693 -7.5764 -0.9120 C.2 1 noname 0.0424 12 C7 12.7183 -6.4045 -0.9170 C.2 1 noname 0.0981 13 C8 15.0793 -9.9834 -0.7470 C.2 1 noname -0.0282 14 O2 15.5452 -6.4074 -1.0239 O.3 1 noname -0.2775 15 C9 15.6702 -8.7254 -0.8580 C.2 1 noname -0.0214 16 O3 13.3093 -5.3035 -1.0060 O.2 1 noname -0.2875 17 C10 11.3233 -6.2434 -0.8920 C.2 1 noname 0.0530 18 C11 10.5823 -6.2694 -2.0919 C.2 1 noname 0.0603 19 C12 10.6483 -6.0554 0.3320 C.2 1 noname 0.0603 20 O4 11.1952 -6.4603 -3.2838 O.3 1 noname -0.2755 21 C13 9.1853 -6.1233 -2.0618 C.2 1 noname 0.0193 22 O5 11.3242 -6.0384 1.5050 O.3 1 noname -0.2755 23 C14 9.2513 -5.9084 0.3520 C.2 1 noname 0.0193 24 C15 8.4973 -5.9493 -0.8408 C.2 1 noname 0.0281 25 C16 7.1163 -5.8562 -0.8028 C.2 1 noname 0.0951 26 O6 6.4483 -6.0762 -1.8057 O.2 1 noname -0.2572 27 O7 6.4903 -5.5732 0.3421 O.3 1 noname -0.2035 28 C17 5.1533 -6.0351 0.5541 C.3 1 noname 0.0834 29 C18 5.0972 -7.5510 0.7722 C.3 1 noname 0.0413 30 C19 4.5802 -5.4811 1.8611 C.3 1 noname -0.0245 31 N2 5.2142 -8.2520 -0.4567 N.3 1 noname -0.0742 32 C20 3.7472 -7.7620 1.4682 C.3 1 noname -0.0347 33 C21 3.5092 -6.4910 2.2972 C.3 1 noname -0.0492 34 C22 5.2961 -9.5999 -0.5456 C.2 1 noname 0.0093 35 O8 5.2361 -10.2688 0.5123 O.2 1 noname -0.2963 36 C23 5.4741 -10.2428 -1.7955 C.2 1 noname -0.0244 37 C24 5.4540 -11.6537 -1.8865 C.2 1 noname -0.0079 38 C25 5.6930 -9.4988 -2.9795 C.2 1 noname -0.0079 39 C26 5.6480 -12.3007 -3.1184 C.2 1 noname -0.0175 40 C27 5.8860 -10.1457 -4.2124 C.2 1 noname -0.0175 41 C28 5.8629 -11.5477 -4.2833 C.2 1 noname 0.0141 42 O9 6.0489 -12.1766 -5.4642 O.3 1 noname -0.2838 43 H1 10.9665 -8.2825 -0.7321 H 1 noname 0.1374 44 H2 13.3053 -11.0263 -0.6160 H 1 noname 0.0639 45 H3 15.6602 -10.8213 -0.7089 H 1 noname 0.0624 46 H4 16.5211 -6.4924 -1.0499 H 1 noname 0.2182 47 H5 16.6871 -8.6453 -0.8999 H 1 noname 0.0650 48 H6 10.5972 -6.4583 -4.0597 H 1 noname 0.2182 49 H7 8.6643 -6.1613 -2.9388 H 1 noname 0.0658 50 H8 10.7682 -5.8964 2.2990 H 1 noname 0.2182 51 H9 8.7792 -5.7883 1.2500 H 1 noname 0.0658 52 H10 4.4983 -5.7431 -0.2707 H 1 noname 0.0626 53 H11 5.9052 -7.8390 1.4492 H 1 noname 0.0496 54 H12 5.3682 -5.4361 2.6152 H 1 noname 0.0294 55 H13 4.1522 -4.4901 1.7112 H 1 noname 0.0294 56 H14 5.2781 -7.7289 -1.2706 H 1 noname 0.1317 57 H15 3.7732 -8.6469 2.1052 H 1 noname 0.0283 58 H16 2.9552 -7.8640 0.7242 H 1 noname 0.0283 59 H17 3.6102 -6.7060 3.3622 H 1 noname 0.0268 60 H18 2.5132 -6.0970 2.0942 H 1 noname 0.0268 61 H19 5.3030 -12.2217 -1.0505 H 1 noname 0.0631 62 H20 5.7220 -8.4788 -2.9554 H 1 noname 0.0631 63 H21 5.6329 -13.3206 -3.1654 H 1 noname 0.0650 64 H22 6.0439 -9.5927 -5.0553 H 1 noname 0.0650 65 H23 6.1888 -11.5775 -6.2281 H 1 noname 0.2181 @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 7 8 1 8 7 43 1 9 8 9 2 10 8 10 1 11 9 11 1 12 9 12 1 13 10 13 2 14 10 44 1 15 11 14 1 16 11 15 2 17 12 16 2 18 12 17 1 19 13 15 1 20 13 45 1 21 14 46 1 22 15 47 1 23 17 18 2 24 17 19 1 25 18 20 1 26 18 21 1 27 19 22 1 28 19 23 2 29 20 48 1 30 21 24 2 31 21 49 1 32 22 50 1 33 23 24 1 34 23 51 1 35 24 25 1 36 25 26 2 37 25 27 1 38 27 28 1 39 28 29 1 40 28 30 1 41 28 52 1 42 29 31 1 43 29 32 1 44 29 53 1 45 30 33 1 46 30 54 1 47 30 55 1 48 31 34 1 49 31 56 1 50 32 33 1 51 32 57 1 52 32 58 1 53 33 59 1 54 33 60 1 55 34 35 2 56 34 36 1 57 36 37 2 58 36 38 1 59 37 39 1 60 37 61 1 61 38 40 2 62 38 62 1 63 39 41 2 64 39 63 1 65 40 41 1 66 40 64 1 67 41 42 1 68 42 65 1 @SUBSTRUCTURE 1 noname 1