@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50444256 62 64 1 SMALL USER_CHARGES @ATOM 1 O1 27.1118 -9.7438 2.9983 O.2 1 noname -0.2920 2 C1 27.0568 -10.9388 2.6293 C.2 1 noname 0.0228 3 N1 28.0587 -11.7648 3.0194 N.3 1 noname -0.0723 4 C2 25.9757 -11.4118 1.8404 C.2 1 noname 0.0004 5 C3 29.1697 -11.3507 3.8044 C.3 1 noname 0.0167 6 C4 24.8977 -10.5957 1.4184 C.2 1 noname 0.0740 7 C5 25.9227 -12.7597 1.4264 C.2 1 noname 0.0459 8 C6 29.9476 -12.6007 4.2454 C.3 1 noname -0.0246 9 C7 30.1117 -10.4307 3.0065 C.3 1 noname -0.0246 10 N2 23.9067 -11.1247 0.6604 N.2 1 noname -0.2378 11 N3 24.8167 -9.2827 1.7425 N.3 1 noname -0.0935 12 N4 24.9007 -13.2247 0.6725 N.2 1 noname -0.2610 13 C8 31.1986 -12.1936 5.0385 C.3 1 noname -0.0033 14 C9 31.3596 -10.1006 3.8385 C.3 1 noname -0.0033 15 C10 23.8896 -12.4206 0.2835 C.2 1 noname 0.0927 16 C11 23.7526 -8.4226 1.3515 C.3 1 noname 0.0129 17 N5 32.0665 -11.3296 4.2265 N.3 1 noname -0.3165 18 N6 22.8916 -12.9266 -0.4644 N.3 1 noname -0.0674 19 C12 24.1636 -6.9746 1.6695 C.3 1 noname -0.0349 20 C13 22.4496 -8.7646 2.1035 C.3 1 noname -0.0349 21 C14 21.7925 -12.1445 -0.9063 C.3 1 noname 0.0029 22 C15 23.0456 -5.9955 1.2766 C.3 1 noname -0.0255 23 C16 21.3295 -7.7875 1.7146 C.3 1 noname -0.0255 24 C17 20.8235 -13.0045 -1.7313 C.3 1 noname -0.0404 25 C18 21.7475 -6.3415 2.0206 C.3 1 noname 0.0542 26 C19 20.1914 -14.1135 -0.8743 C.3 1 noname -0.0549 27 O2 20.7185 -5.4545 1.6057 O.3 1 noname -0.3930 28 C20 19.2094 -14.9444 -1.7092 C.3 1 noname -0.0653 29 H1 28.0097 -12.6987 2.7694 H 1 noname 0.1316 30 H2 28.8177 -10.8277 4.6964 H 1 noname 0.0470 31 H3 26.6607 -13.4137 1.6895 H 1 noname 0.0849 32 H4 30.2516 -13.1746 3.3685 H 1 noname 0.0295 33 H5 29.3106 -13.2226 4.8755 H 1 noname 0.0295 34 H6 30.4146 -10.9276 2.0845 H 1 noname 0.0295 35 H7 29.5986 -9.5017 2.7565 H 1 noname 0.0295 36 H8 25.5416 -8.8946 2.2575 H 1 noname 0.1299 37 H9 30.9025 -11.6706 5.9495 H 1 noname 0.0428 38 H10 31.7515 -13.0926 5.3135 H 1 noname 0.0428 39 H11 32.0296 -9.4816 3.2415 H 1 noname 0.0428 40 H12 31.0686 -9.5446 4.7315 H 1 noname 0.0428 41 H13 23.5866 -8.5086 0.2755 H 1 noname 0.0468 42 H14 32.2775 -11.8395 3.3655 H 1 noname 0.1222 43 H15 22.9255 -13.8645 -0.7054 H 1 noname 0.1312 44 H16 24.3686 -6.8765 2.7366 H 1 noname 0.0283 45 H17 25.0655 -6.7235 1.1106 H 1 noname 0.0283 46 H18 22.6225 -8.7065 3.1786 H 1 noname 0.0283 47 H19 22.1285 -9.7755 1.8536 H 1 noname 0.0283 48 H20 22.1555 -11.3265 -1.5323 H 1 noname 0.0433 49 H21 21.2625 -11.7265 -0.0483 H 1 noname 0.0433 50 H22 23.3495 -4.9805 1.5356 H 1 noname 0.0293 51 H23 22.8755 -6.0515 0.2006 H 1 noname 0.0293 52 H24 21.1184 -7.8865 0.6486 H 1 noname 0.0293 53 H25 20.4285 -8.0305 2.2786 H 1 noname 0.0293 54 H26 21.3614 -13.4525 -2.5683 H 1 noname 0.0279 55 H27 20.0334 -12.3624 -2.1233 H 1 noname 0.0279 56 H28 21.9035 -6.2275 3.0947 H 1 noname 0.0600 57 H29 19.6554 -13.6634 -0.0372 H 1 noname 0.0264 58 H30 20.9714 -14.7694 -0.4872 H 1 noname 0.0264 59 H31 19.8544 -5.6044 2.0427 H 1 noname 0.2104 60 H32 19.7353 -15.4044 -2.5462 H 1 noname 0.0230 61 H33 18.4133 -14.3034 -2.0891 H 1 noname 0.0230 62 H34 18.7753 -15.7254 -1.0851 H 1 noname 0.0230 @BOND 1 1 2 2 2 2 3 1 3 2 4 1 4 3 5 1 5 3 29 1 6 4 6 2 7 4 7 1 8 5 8 1 9 5 9 1 10 5 30 1 11 6 10 1 12 6 11 1 13 7 12 2 14 7 31 1 15 8 13 1 16 8 32 1 17 8 33 1 18 9 14 1 19 9 34 1 20 9 35 1 21 10 15 2 22 11 16 1 23 11 36 1 24 12 15 1 25 13 17 1 26 13 37 1 27 13 38 1 28 14 17 1 29 14 39 1 30 14 40 1 31 15 18 1 32 16 19 1 33 16 20 1 34 16 41 1 35 17 42 1 36 18 21 1 37 18 43 1 38 19 22 1 39 19 44 1 40 19 45 1 41 20 23 1 42 20 46 1 43 20 47 1 44 21 24 1 45 21 48 1 46 21 49 1 47 22 25 1 48 22 50 1 49 22 51 1 50 23 25 1 51 23 52 1 52 23 53 1 53 24 26 1 54 24 54 1 55 24 55 1 56 25 27 1 57 25 56 1 58 26 28 1 59 26 57 1 60 26 58 1 61 27 59 1 62 28 60 1 63 28 61 1 64 28 62 1 @SUBSTRUCTURE 1 noname 1