@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441416 77 82 1 SMALL USER_CHARGES @ATOM 1 F1 14.7694 -2.2014 -2.9947 F 1 noname -0.1536 2 C1 14.1053 -3.1943 -3.5186 C.2 1 noname 0.0618 3 C2 12.7183 -3.3202 -3.3016 C.2 1 noname 0.0517 4 C3 14.7883 -4.1442 -4.2996 C.2 1 noname 0.0267 5 O1 12.0712 -2.3692 -2.5595 O.3 1 noname -0.1902 6 C4 12.0243 -4.3992 -3.8895 C.2 1 noname -0.0011 7 C5 14.0962 -5.2152 -4.8935 C.2 1 noname -0.0136 8 C6 11.2942 -2.7142 -1.4895 C.2 1 noname 0.0164 9 C7 12.7092 -5.3421 -4.6755 C.2 1 noname -0.0275 10 N1 14.8102 -6.1091 -5.6245 N.3 1 noname -0.1258 11 C8 9.8872 -2.6252 -1.5604 C.2 1 noname 0.0038 12 C9 11.9122 -3.1281 -0.2944 C.2 1 noname -0.0059 13 C10 14.4702 -6.6020 -6.8444 C.2 1 noname 0.1436 14 C11 9.1321 -2.9791 -0.4134 C.2 1 noname 0.0407 15 C12 9.2151 -2.2081 -2.7274 C.2 1 noname 0.0234 16 C13 11.1161 -3.4641 0.8105 C.2 1 noname -0.0051 17 O2 13.4121 -6.2530 -7.4194 O.2 1 noname -0.2543 18 C14 15.3511 -7.4880 -7.4863 C.2 1 noname 0.1053 19 N2 9.7671 -3.3801 0.7165 N.2 1 noname -0.2634 20 C15 7.7301 -2.9151 -0.4464 C.2 1 noname 0.0346 21 C16 7.8061 -2.1431 -2.7644 C.2 1 noname 0.0426 22 N3 15.1691 -7.8469 -8.7823 N.2 1 noname -0.1765 23 N4 16.4191 -7.9979 -6.8263 N.2 1 noname -0.1897 24 C17 7.0681 -2.4950 -1.6163 C.2 1 noname 0.0550 25 O3 7.1050 -1.7430 -3.8683 O.3 1 noname -0.2657 26 C18 15.9920 -8.6899 -9.4642 C.2 1 noname 0.0456 27 C19 17.2860 -8.8459 -7.4243 C.2 1 noname 0.0293 28 O4 5.7110 -2.4400 -1.6712 O.3 1 noname -0.2611 29 C20 7.7430 -1.3580 -5.0892 C.3 1 noname 0.0424 30 C21 15.7010 -8.9878 -10.8312 C.2 1 noname -0.0298 31 C22 17.0990 -9.2158 -8.7622 C.2 1 noname 0.0239 32 C23 4.9940 -1.6520 -0.7182 C.3 1 noname 0.0547 33 C24 14.6020 -8.3628 -11.4711 C.2 1 noname -0.0331 34 C25 16.4699 -9.8988 -11.5991 C.2 1 noname -0.0331 35 C26 3.5230 -1.5629 -1.1521 C.3 1 noname -0.0162 36 C27 14.2819 -8.6337 -12.8121 C.2 1 noname -0.0531 37 C28 16.1549 -10.1707 -12.9411 C.2 1 noname -0.0531 38 C29 3.3979 -1.1719 -2.6351 C.3 1 noname 0.0006 39 C30 15.0589 -9.5407 -13.5480 C.2 1 noname -0.0508 40 N5 4.2579 -0.0209 -2.9790 N.3 1 noname -0.2986 41 C31 3.7328 1.2361 -2.4060 C.3 1 noname 0.0219 42 C32 4.3628 0.1031 -4.4459 C.3 1 noname 0.0219 43 C33 4.6588 2.4041 -2.7769 C.3 1 noname 0.0595 44 C34 5.3008 1.2651 -4.8009 C.3 1 noname 0.0595 45 O5 4.8177 2.4601 -4.1929 O.3 1 noname -0.3786 46 H1 15.7952 -4.0482 -4.4435 H 1 noname 0.0671 47 H2 11.0182 -4.4951 -3.7515 H 1 noname 0.0651 48 H3 12.1932 -6.1201 -5.0884 H 1 noname 0.0640 49 H4 15.6721 -6.3820 -5.2714 H 1 noname 0.1375 50 H5 12.9291 -3.1811 -0.2294 H 1 noname 0.0666 51 H6 9.7551 -1.9570 -3.5563 H 1 noname 0.0659 52 H7 11.5491 -3.7670 1.6835 H 1 noname 0.0840 53 H8 7.1891 -3.1800 0.3766 H 1 noname 0.0674 54 H9 18.0789 -9.2158 -6.9002 H 1 noname 0.0840 55 H10 6.9800 -1.0959 -5.8212 H 1 noname 0.0535 56 H11 8.3859 -0.4909 -4.9242 H 1 noname 0.0535 57 H12 8.3359 -2.1849 -5.4822 H 1 noname 0.0535 58 H13 17.7659 -9.8497 -9.1992 H 1 noname 0.0661 59 H14 5.0509 -2.1019 0.2737 H 1 noname 0.0572 60 H15 5.4110 -0.6429 -0.6801 H 1 noname 0.0572 61 H16 14.0179 -7.6958 -10.9631 H 1 noname 0.0629 62 H17 17.2708 -10.3807 -11.1951 H 1 noname 0.0629 63 H18 3.0509 -2.5349 -1.0091 H 1 noname 0.0303 64 H19 3.0069 -0.8309 -0.5321 H 1 noname 0.0303 65 H20 13.4849 -8.1717 -13.2500 H 1 noname 0.0622 66 H21 16.7238 -10.8287 -13.4750 H 1 noname 0.0622 67 H22 3.7069 -2.0348 -3.2280 H 1 noname 0.0431 68 H23 2.3559 -0.9499 -2.8670 H 1 noname 0.0431 69 H24 14.8268 -9.7406 -14.5220 H 1 noname 0.0622 70 H25 2.7318 1.4361 -2.7910 H 1 noname 0.0454 71 H26 3.6888 1.1641 -1.3200 H 1 noname 0.0454 72 H27 4.7708 -0.8168 -4.8659 H 1 noname 0.0454 73 H28 3.3788 0.2891 -4.8809 H 1 noname 0.0454 74 H29 4.2267 3.3401 -2.4239 H 1 noname 0.0579 75 H30 5.6327 2.2591 -2.3069 H 1 noname 0.0579 76 H31 5.3317 1.3931 -5.8828 H 1 noname 0.0579 77 H32 6.3047 1.0481 -4.4348 H 1 noname 0.0579 @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 46 1 8 5 8 1 9 6 9 2 10 6 47 1 11 7 10 1 12 7 9 1 13 8 11 1 14 8 12 2 15 9 48 1 16 10 13 1 17 10 49 1 18 11 14 1 19 11 15 2 20 12 16 1 21 12 50 1 22 13 17 2 23 13 18 1 24 14 19 1 25 14 20 2 26 15 21 1 27 15 51 1 28 16 19 2 29 16 52 1 30 18 22 2 31 18 23 1 32 20 24 1 33 20 53 1 34 21 25 1 35 21 24 2 36 22 26 1 37 23 27 2 38 24 28 1 39 25 29 1 40 26 30 1 41 26 31 2 42 27 31 1 43 27 54 1 44 28 32 1 45 29 55 1 46 29 56 1 47 29 57 1 48 30 33 2 49 30 34 1 50 31 58 1 51 32 35 1 52 32 59 1 53 32 60 1 54 33 36 1 55 33 61 1 56 34 37 2 57 34 62 1 58 35 38 1 59 35 63 1 60 35 64 1 61 36 39 2 62 36 65 1 63 37 39 1 64 37 66 1 65 38 40 1 66 38 67 1 67 38 68 1 68 39 69 1 69 40 41 1 70 40 42 1 71 41 43 1 72 41 70 1 73 41 71 1 74 42 44 1 75 42 72 1 76 42 73 1 77 43 45 1 78 43 74 1 79 43 75 1 80 44 45 1 81 44 76 1 82 44 77 1 @SUBSTRUCTURE 1 noname 1