@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50443649 42 46 1 SMALL USER_CHARGES @ATOM 1 F1 34.6459 -26.5972 2.2781 F 1 noname -0.1633 2 C1 34.7108 -27.5031 1.3422 C.2 1 noname 0.0318 3 C2 33.6108 -27.7580 0.4903 C.2 1 noname 0.0050 4 C3 35.9107 -28.2230 1.1913 C.2 1 noname -0.0062 5 C4 33.7438 -28.7439 -0.5115 C.2 1 noname -0.0356 6 C5 32.3268 -27.0280 0.6223 C.3 1 noname 0.0456 7 C6 36.0257 -29.2019 0.1913 C.2 1 noname -0.0448 8 C7 34.9417 -29.4609 -0.6614 C.2 1 noname -0.0618 9 N1 32.5498 -25.6331 0.4493 N.3 1 noname -0.0403 10 C8 31.6728 -27.3280 1.9883 C.3 1 noname -0.0212 11 C9 31.5598 -24.7210 0.4094 C.2 1 noname 0.1563 12 C10 30.2049 -27.7589 2.0583 C.3 1 noname -0.0483 13 C11 31.3088 -28.7549 2.4143 C.3 1 noname -0.0483 14 O1 30.2388 -24.9730 0.5124 O.3 1 noname -0.3196 15 N2 31.7637 -23.4060 0.2604 N.2 1 noname -0.1357 16 C12 29.6598 -23.7570 0.4215 C.2 1 noname 0.1130 17 N3 30.6107 -22.8200 0.2685 N.2 1 noname -0.1261 18 C13 28.2818 -23.4960 0.4805 C.2 1 noname 0.0057 19 C14 27.2348 -24.4029 0.6306 C.2 1 noname 0.0020 20 C15 27.6778 -22.2400 0.4036 C.2 1 noname -0.0618 21 C16 26.0488 -23.6718 0.6426 C.2 1 noname 0.0650 22 C17 27.1888 -25.8008 0.7586 C.2 1 noname -0.0246 23 N4 26.3428 -22.3719 0.5046 N.3 1 noname -0.0016 24 N5 24.8459 -24.2798 0.7766 N.2 1 noname -0.2522 25 C18 25.9328 -26.4227 0.8996 C.2 1 noname -0.0520 26 C19 24.7648 -25.6326 0.9057 C.2 1 noname -0.0029 27 H1 36.7026 -28.0350 1.8073 H 1 noname 0.0653 28 H2 32.9628 -28.9439 -1.1374 H 1 noname 0.0627 29 H3 31.6369 -27.3580 -0.1585 H 1 noname 0.0524 30 H4 36.8966 -29.7219 0.0834 H 1 noname 0.0623 31 H5 35.0236 -30.1708 -1.3894 H 1 noname 0.0622 32 H6 33.4627 -25.3180 0.3534 H 1 noname 0.1324 33 H7 32.0658 -26.6540 2.7493 H 1 noname 0.0322 34 H8 29.5568 -27.3519 2.8343 H 1 noname 0.0270 35 H9 29.6299 -27.9178 1.1474 H 1 noname 0.0270 36 H10 31.4527 -29.0628 3.4493 H 1 noname 0.0270 37 H11 31.5187 -29.5958 1.7534 H 1 noname 0.0270 38 H12 28.1707 -21.3520 0.2916 H 1 noname 0.0797 39 H13 28.0417 -26.3567 0.7486 H 1 noname 0.0630 40 H14 25.6988 -21.6489 0.4816 H 1 noname 0.1537 41 H15 25.8687 -27.4356 0.9957 H 1 noname 0.0639 42 H16 23.8518 -26.0766 1.0047 H 1 noname 0.0839 @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 27 1 8 5 8 2 9 5 28 1 10 6 9 1 11 6 10 1 12 6 29 1 13 7 8 1 14 7 30 1 15 8 31 1 16 9 11 1 17 9 32 1 18 10 12 1 19 10 13 1 20 10 33 1 21 11 14 1 22 11 15 2 23 12 13 1 24 12 34 1 25 12 35 1 26 13 36 1 27 13 37 1 28 14 16 1 29 15 17 1 30 16 18 1 31 16 17 2 32 18 19 1 33 18 20 2 34 19 21 2 35 19 22 1 36 20 23 1 37 20 38 1 38 21 24 1 39 21 23 1 40 22 25 2 41 22 39 1 42 23 40 1 43 24 26 2 44 25 26 1 45 25 41 1 46 26 42 1 @SUBSTRUCTURE 1 noname 1