@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50442165 52 56 1 SMALL USER_CHARGES @ATOM 1 F1 7.5195 -5.1544 9.7128 F 1 noname -0.1645 2 C1 7.9384 -5.7774 8.5598 C.3 1 noname 0.4330 3 F2 6.8653 -5.8323 7.7058 F 1 noname -0.1645 4 F3 8.2974 -7.0614 8.8908 F 1 noname -0.1645 5 C2 9.0745 -5.1043 7.8868 C.2 1 noname 0.0503 6 N1 9.5635 -5.6443 6.7378 N.2 1 noname -0.2130 7 C3 9.6784 -3.9272 8.3769 C.2 1 noname 0.0096 8 C4 10.5945 -5.1222 6.0258 C.2 1 noname 0.0163 9 C5 10.7505 -3.3571 7.6738 C.2 1 noname -0.0294 10 C6 11.2174 -3.9511 6.4918 C.2 1 noname -0.0170 11 C7 11.0365 -5.8032 4.7987 C.3 1 noname 0.0643 12 C8 9.9684 -5.7842 3.7837 C.2 1 noname 0.1362 13 O1 9.7983 -4.6961 3.1877 O.2 1 noname -0.2725 14 N2 9.1933 -6.8812 3.5107 N.3 1 noname -0.1290 15 C9 8.1892 -6.9752 2.5997 C.2 1 noname -0.0095 16 C10 9.3382 -8.1203 4.2118 C.3 1 noname 0.0150 17 C11 7.6151 -8.2433 2.6567 C.2 1 noname -0.0215 18 C12 7.6921 -6.0321 1.6767 C.2 1 noname -0.0274 19 C13 8.2551 -9.0703 3.6668 C.3 1 noname -0.0125 20 C14 6.5550 -8.6122 1.8127 C.2 1 noname -0.0288 21 C15 6.6320 -6.3891 0.8227 C.2 1 noname -0.0335 22 C16 6.0619 -7.6841 0.8667 C.2 1 noname -0.0367 23 C17 4.9918 -8.0381 0.0127 C.2 1 noname -0.0097 24 C18 4.8197 -7.8030 -1.3552 C.2 1 noname -0.0223 25 C19 3.8287 -8.7041 0.4128 C.2 1 noname -0.0999 26 C20 5.6117 -7.2450 -2.3762 C.2 1 noname 0.0449 27 C21 3.5676 -8.2960 -1.7092 C.2 1 noname 0.0926 28 N3 2.9856 -8.8391 -0.6281 N.3 1 noname -0.0141 29 N4 5.0966 -7.1729 -3.6292 N.2 1 noname -0.2686 30 N5 6.8647 -6.8109 -2.1882 N.3 1 noname -0.1120 31 N6 3.0926 -8.2080 -2.9742 N.2 1 noname -0.2564 32 C22 1.7025 -9.4490 -0.5981 C.3 1 noname -0.0570 33 C23 3.8565 -7.6339 -3.9362 C.2 1 noname 0.0496 34 H1 9.3454 -3.4881 9.2349 H 1 noname 0.0645 35 H2 11.1924 -2.5060 8.0229 H 1 noname 0.0623 36 H3 11.9965 -3.5361 5.9798 H 1 noname 0.0641 37 H4 11.9185 -5.3162 4.3797 H 1 noname 0.0427 38 H5 11.3124 -6.8242 5.0578 H 1 noname 0.0427 39 H6 10.3253 -8.5503 4.0289 H 1 noname 0.0443 40 H7 9.1912 -7.9742 5.2839 H 1 noname 0.0443 41 H8 8.0871 -5.0950 1.6187 H 1 noname 0.0639 42 H9 7.5460 -9.3463 4.4489 H 1 noname 0.0330 43 H10 8.7021 -9.9583 3.2178 H 1 noname 0.0330 44 H11 6.1609 -9.5522 1.8828 H 1 noname 0.0632 45 H12 6.2710 -5.6910 0.1707 H 1 noname 0.0629 46 H13 3.6326 -9.0211 1.3639 H 1 noname 0.0798 47 H14 7.3607 -6.4428 -2.9361 H 1 noname 0.1258 48 H15 7.2847 -6.8809 -1.3191 H 1 noname 0.1258 49 H16 1.4634 -9.8100 0.4039 H 1 noname 0.0436 50 H17 0.9464 -8.7229 -0.9001 H 1 noname 0.0436 51 H18 1.6834 -10.2921 -1.2901 H 1 noname 0.0436 52 H19 3.5055 -7.5608 -4.8912 H 1 noname 0.1062 @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 7 9 2 9 7 34 1 10 8 10 2 11 8 11 1 12 9 10 1 13 9 35 1 14 10 36 1 15 11 12 1 16 11 37 1 17 11 38 1 18 12 13 2 19 12 14 1 20 14 15 1 21 14 16 1 22 15 17 2 23 15 18 1 24 16 19 1 25 16 39 1 26 16 40 1 27 17 20 1 28 17 19 1 29 18 21 2 30 18 41 1 31 19 42 1 32 19 43 1 33 20 22 2 34 20 44 1 35 21 22 1 36 21 45 1 37 22 23 1 38 23 24 1 39 23 25 2 40 24 26 2 41 24 27 1 42 25 28 1 43 25 46 1 44 26 29 1 45 26 30 1 46 27 31 2 47 27 28 1 48 28 32 1 49 29 33 2 50 30 47 1 51 30 48 1 52 31 33 1 53 32 49 1 54 32 50 1 55 32 51 1 56 33 52 1 @SUBSTRUCTURE 1 noname 1