@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50439781 79 83 1 SMALL USER_CHARGES @ATOM 1 F1 9.4686 -8.8473 5.9217 F 1 noname -0.1536 2 C1 8.3526 -9.4623 6.1957 C.2 1 noname 0.0621 3 C2 7.5195 -9.9273 5.1577 C.2 1 noname 0.0523 4 C3 7.9935 -9.6742 7.5398 C.2 1 noname 0.0275 5 O1 7.8734 -9.7212 3.8537 O.3 1 noname -0.1901 6 C4 6.3144 -10.5813 5.4818 C.2 1 noname -0.0008 7 C5 6.7904 -10.3282 7.8649 C.2 1 noname -0.0130 8 C6 8.1334 -10.7882 3.0407 C.2 1 noname 0.0164 9 C7 5.9533 -10.7832 6.8249 C.2 1 noname -0.0266 10 N1 6.5104 -10.5472 9.1750 N.3 1 noname -0.1294 11 C8 7.2733 -11.1002 1.9647 C.2 1 noname 0.0038 12 C9 9.2804 -11.5732 3.2677 C.2 1 noname -0.0059 13 C10 5.3073 -10.3691 9.7791 C.2 1 noname 0.0847 14 C11 7.5853 -12.2221 1.1557 C.2 1 noname 0.0407 15 C12 6.1112 -10.3511 1.6828 C.2 1 noname 0.0234 16 C13 9.5444 -12.6672 2.4307 C.2 1 noname -0.0051 17 O2 4.3072 -9.9361 9.1631 O.2 1 noname -0.2617 18 N2 5.1542 -10.6501 11.0872 N.3 1 noname 0.0752 19 N3 8.6973 -12.9552 1.4138 N.2 1 noname -0.2634 20 C14 6.7432 -12.5831 0.0917 C.2 1 noname 0.0346 21 C15 5.2581 -10.7260 0.6297 C.2 1 noname 0.0426 22 N4 6.0912 -11.1291 11.7883 N.2 1 noname -0.2662 23 C16 5.5791 -11.8380 -0.1751 C.2 1 noname 0.0550 24 O3 4.1421 -9.9810 0.4078 O.3 1 noname -0.2657 25 C17 5.9432 -11.4250 13.0254 C.2 1 noname 0.0137 26 O4 4.7431 -12.1930 -1.1871 O.3 1 noname -0.2611 27 C18 2.8660 -10.5700 0.6618 C.3 1 noname 0.0424 28 C19 6.9622 -11.9660 13.7855 C.2 1 noname -0.0332 29 C20 5.2441 -12.2689 -2.5241 C.3 1 noname 0.0547 30 C21 8.2372 -12.2470 13.2415 C.2 1 noname -0.0369 31 C22 6.7291 -12.2590 15.1466 C.2 1 noname -0.0369 32 C23 4.1060 -12.6699 -3.4741 C.3 1 noname -0.0162 33 C24 9.2502 -12.8050 14.0406 C.2 1 noname -0.0543 34 C25 7.7421 -12.8170 15.9457 C.2 1 noname -0.0543 35 C26 2.8709 -11.7688 -3.3001 C.3 1 noname 0.0004 36 C27 9.0031 -13.0910 15.3927 C.2 1 noname -0.0530 37 N5 3.2199 -10.3327 -3.2920 N.3 1 noname -0.3031 38 C28 3.6478 -9.8756 -4.6320 C.3 1 noname -0.0015 39 C29 2.0568 -9.5436 -2.8379 C.3 1 noname -0.0015 40 C30 4.0728 -8.4015 -4.5800 C.3 1 noname -0.0378 41 C31 2.4408 -8.0625 -2.7079 C.3 1 noname -0.0378 42 C32 2.9167 -7.5285 -4.0679 C.3 1 noname -0.0418 43 C33 3.3697 -6.0663 -3.9449 C.3 1 noname -0.0624 44 H1 8.6085 -9.3472 8.2859 H 1 noname 0.0671 45 H2 5.6993 -10.9152 4.7388 H 1 noname 0.0651 46 H3 5.0842 -11.2722 7.0419 H 1 noname 0.0640 47 H4 7.2434 -10.8281 9.7451 H 1 noname 0.1385 48 H5 9.9154 -11.3491 4.0348 H 1 noname 0.0666 49 H6 5.8702 -9.5400 2.2538 H 1 noname 0.0659 50 H7 10.3693 -13.2462 2.5878 H 1 noname 0.0840 51 H8 4.2862 -10.4980 11.4933 H 1 noname 0.1604 52 H9 6.9682 -13.3961 -0.4812 H 1 noname 0.0674 53 H10 5.0571 -11.2660 13.4475 H 1 noname 0.0859 54 H11 2.0919 -9.8249 0.4779 H 1 noname 0.0535 55 H12 2.6959 -11.4240 0.0048 H 1 noname 0.0535 56 H13 2.8009 -10.8939 1.7019 H 1 noname 0.0535 57 H14 5.6380 -11.2969 -2.8241 H 1 noname 0.0572 58 H15 6.0381 -13.0139 -2.5971 H 1 noname 0.0572 59 H16 8.4342 -12.0489 12.2595 H 1 noname 0.0629 60 H17 5.8160 -12.0690 15.5646 H 1 noname 0.0629 61 H18 4.4630 -12.6158 -4.5021 H 1 noname 0.0303 62 H19 3.8179 -13.6999 -3.2611 H 1 noname 0.0303 63 H20 10.1662 -13.0040 13.6366 H 1 noname 0.0622 64 H21 7.5601 -13.0240 16.9288 H 1 noname 0.0622 65 H22 2.1548 -11.9808 -4.0960 H 1 noname 0.0431 66 H23 2.4098 -12.0277 -2.3450 H 1 noname 0.0431 67 H24 9.7381 -13.4980 15.9727 H 1 noname 0.0622 68 H25 2.8337 -9.9956 -5.3500 H 1 noname 0.0430 69 H26 4.5038 -10.4596 -4.9670 H 1 noname 0.0430 70 H27 1.2307 -9.6456 -3.5429 H 1 noname 0.0430 71 H28 1.7297 -9.8996 -1.8609 H 1 noname 0.0430 72 H29 4.9298 -8.3015 -3.9129 H 1 noname 0.0282 73 H30 4.3598 -8.0745 -5.5800 H 1 noname 0.0282 74 H31 1.5737 -7.4924 -2.3728 H 1 noname 0.0282 75 H32 3.2408 -7.9645 -1.9718 H 1 noname 0.0282 76 H33 2.0897 -7.5814 -4.7779 H 1 noname 0.0301 77 H34 2.5386 -5.4512 -3.5988 H 1 noname 0.0233 78 H35 4.1947 -5.9903 -3.2348 H 1 noname 0.0233 79 H36 3.6997 -5.7023 -4.9189 H 1 noname 0.0233 @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 44 1 8 5 8 1 9 6 9 2 10 6 45 1 11 7 10 1 12 7 9 1 13 8 11 1 14 8 12 2 15 9 46 1 16 10 13 1 17 10 47 1 18 11 14 1 19 11 15 2 20 12 16 1 21 12 48 1 22 13 17 2 23 13 18 1 24 14 19 1 25 14 20 2 26 15 21 1 27 15 49 1 28 16 19 2 29 16 50 1 30 18 22 1 31 18 51 1 32 20 23 1 33 20 52 1 34 21 24 1 35 21 23 2 36 22 25 2 37 23 26 1 38 24 27 1 39 25 28 1 40 25 53 1 41 26 29 1 42 27 54 1 43 27 55 1 44 27 56 1 45 28 30 2 46 28 31 1 47 29 32 1 48 29 57 1 49 29 58 1 50 30 33 1 51 30 59 1 52 31 34 2 53 31 60 1 54 32 35 1 55 32 61 1 56 32 62 1 57 33 36 2 58 33 63 1 59 34 36 1 60 34 64 1 61 35 37 1 62 35 65 1 63 35 66 1 64 36 67 1 65 37 38 1 66 37 39 1 67 38 40 1 68 38 68 1 69 38 69 1 70 39 41 1 71 39 70 1 72 39 71 1 73 40 42 1 74 40 72 1 75 40 73 1 76 41 42 1 77 41 74 1 78 41 75 1 79 42 43 1 80 42 76 1 81 43 77 1 82 43 78 1 83 43 79 1 @SUBSTRUCTURE 1 noname 1