@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50447387 62 66 1 SMALL USER_CHARGES @ATOM 1 O1 5.8055 -18.9984 -2.1083 O.2 1 noname -0.2792 2 C1 4.8854 -19.3824 -1.3453 C.2 1 noname 0.0923 3 N1 5.1104 -20.4273 -0.4723 N.3 1 noname -0.1233 4 C2 3.6654 -18.7423 -1.4493 C.2 1 noname 0.0382 5 C3 6.2973 -21.0993 -0.4822 C.2 1 noname 0.0249 6 C4 4.1043 -20.9173 0.4267 C.3 1 noname 0.0135 7 C5 3.5043 -17.5613 -2.0582 C.2 1 noname -0.0288 8 C6 6.3473 -22.4332 -0.9412 C.2 1 noname 0.0521 9 C7 7.4783 -20.4712 -0.0352 C.2 1 noname 0.0178 10 C8 3.2883 -22.0283 -0.2521 C.3 1 noname -0.0153 11 C9 2.2173 -16.9172 -2.1462 C.3 1 noname 0.0170 12 O2 5.2333 -23.0912 -1.3671 O.3 1 noname -0.2645 13 C10 7.5753 -23.1132 -0.9881 C.2 1 noname 0.0347 14 C11 8.7123 -21.1532 -0.0651 C.2 1 noname -0.0129 15 C12 4.1292 -23.2962 -0.4761 C.3 1 noname 0.0547 16 N2 2.2593 -15.5832 -1.5131 N.3 1 noname -0.2950 17 C13 8.7532 -22.4841 -0.5501 C.2 1 noname 0.0543 18 C14 9.9322 -20.5832 0.3618 C.2 1 noname 0.0441 19 C15 2.3842 -15.6922 -0.0421 C.3 1 noname 0.0222 20 C16 1.0302 -14.8361 -1.8491 C.3 1 noname 0.0222 21 N3 9.9252 -23.1611 -0.5920 N.2 1 noname -0.2503 22 N4 11.0662 -21.3281 0.2919 N.2 1 noname -0.2407 23 N5 9.9602 -19.3121 0.8519 N.3 1 noname 0.0056 24 C17 2.4242 -14.2901 0.5849 C.3 1 noname 0.0595 25 C18 1.0752 -13.4371 -1.2181 C.3 1 noname 0.0595 26 C19 11.0811 -22.5970 -0.1760 C.2 1 noname 0.0480 27 C20 11.0511 -18.6440 1.3080 C.2 1 noname -0.0259 28 O3 1.2671 -13.5591 0.1889 O.3 1 noname -0.3786 29 C21 10.9241 -17.9170 2.5080 C.2 1 noname -0.0384 30 C22 12.2731 -18.6050 0.6050 C.2 1 noname -0.0631 31 C23 12.0110 -17.1790 3.0200 C.2 1 noname -0.0250 32 C24 13.3590 -17.8709 1.1090 C.2 1 noname -0.0573 33 C25 11.8890 -16.5179 4.1341 C.1 1 noname -0.0565 34 C26 13.2320 -17.1609 2.3151 C.2 1 noname -0.0628 35 C27 11.7769 -15.9109 5.1572 C.1 1 noname -0.0934 36 H1 2.8643 -19.1743 -1.0622 H 1 noname 0.0672 37 H2 4.5593 -21.3222 1.3348 H 1 noname 0.0440 38 H3 3.4323 -20.1192 0.7458 H 1 noname 0.0440 39 H4 4.2833 -17.0983 -2.4622 H 1 noname 0.0591 40 H5 7.4293 -19.5082 0.3018 H 1 noname 0.0648 41 H6 2.9072 -21.6742 -1.2111 H 1 noname 0.0303 42 H7 2.4422 -22.2812 0.3878 H 1 noname 0.0303 43 H8 1.4372 -17.5252 -1.6821 H 1 noname 0.0475 44 H9 1.9803 -16.8052 -3.2052 H 1 noname 0.0475 45 H10 7.6092 -24.0731 -1.3331 H 1 noname 0.0673 46 H11 4.4842 -23.6751 0.4848 H 1 noname 0.0572 47 H12 3.4802 -24.0512 -0.9201 H 1 noname 0.0572 48 H13 1.5362 -16.2431 0.3688 H 1 noname 0.0454 49 H14 3.3062 -16.2121 0.2198 H 1 noname 0.0454 50 H15 0.9482 -14.7281 -2.9321 H 1 noname 0.0454 51 H16 0.1532 -15.3681 -1.4771 H 1 noname 0.0454 52 H17 9.1102 -18.8541 0.9270 H 1 noname 0.1357 53 H18 2.4441 -14.3771 1.6719 H 1 noname 0.0579 54 H19 3.3211 -13.7681 0.2509 H 1 noname 0.0579 55 H20 0.1351 -12.9181 -1.4120 H 1 noname 0.0579 56 H21 1.8961 -12.8661 -1.6530 H 1 noname 0.0579 57 H22 11.9551 -23.1220 -0.2149 H 1 noname 0.1062 58 H23 10.0320 -17.9340 3.0081 H 1 noname 0.0652 59 H24 12.3740 -19.1050 -0.2789 H 1 noname 0.0639 60 H25 14.2420 -17.8499 0.5971 H 1 noname 0.0623 61 H26 14.0330 -16.6329 2.6681 H 1 noname 0.0635 62 H27 11.6909 -15.4428 5.9472 H 1 noname 0.1241 @BOND 1 1 2 2 2 2 3 1 3 2 4 1 4 3 5 1 5 3 6 1 6 4 7 2 7 4 36 1 8 5 8 1 9 5 9 2 10 6 10 1 11 6 37 1 12 6 38 1 13 7 11 1 14 7 39 1 15 8 12 1 16 8 13 2 17 9 14 1 18 9 40 1 19 10 15 1 20 10 41 1 21 10 42 1 22 11 16 1 23 11 43 1 24 11 44 1 25 12 15 1 26 13 17 1 27 13 45 1 28 14 18 2 29 14 17 1 30 15 46 1 31 15 47 1 32 16 19 1 33 16 20 1 34 17 21 2 35 18 22 1 36 18 23 1 37 19 24 1 38 19 48 1 39 19 49 1 40 20 25 1 41 20 50 1 42 20 51 1 43 21 26 1 44 22 26 2 45 23 27 1 46 23 52 1 47 24 28 1 48 24 53 1 49 24 54 1 50 25 28 1 51 25 55 1 52 25 56 1 53 26 57 1 54 27 29 2 55 27 30 1 56 29 31 1 57 29 58 1 58 30 32 2 59 30 59 1 60 31 33 1 61 31 34 2 62 32 34 1 63 32 60 1 64 33 35 3 65 34 61 1 66 35 62 1 @SUBSTRUCTURE 1 noname 1