@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50444130 61 65 1 SMALL USER_CHARGES @ATOM 1 O1 3.9028 -15.5852 3.4588 O.3 1 noname -0.3318 2 C1 2.9648 -14.7261 2.9728 C.2 1 noname 0.1187 3 C2 4.6448 -14.8731 4.3268 C.2 1 noname 0.0329 4 N1 3.1108 -13.4991 3.5219 N.2 1 noname -0.2112 5 C3 1.9798 -15.0941 2.0259 C.2 1 noname 0.0080 6 C4 4.1487 -13.5781 4.3629 C.2 1 noname 0.0413 7 C5 5.7407 -15.2551 5.1129 C.2 1 noname 0.0032 8 C6 1.0098 -14.1940 1.5309 C.2 1 noname 0.0683 9 C7 1.9397 -16.4190 1.5399 C.2 1 noname 0.0165 10 C8 4.7267 -12.6021 5.1879 C.2 1 noname -0.0016 11 C9 6.3327 -14.2850 5.9469 C.2 1 noname -0.0369 12 N2 0.0917 -14.6200 0.6320 N.2 1 noname -0.2529 13 N3 0.9307 -12.9070 1.9020 N.3 1 noname -0.1095 14 C10 0.9757 -16.8510 0.6010 C.2 1 noname -0.0273 15 C11 5.8326 -12.9580 5.9909 C.2 1 noname -0.0118 16 C12 0.0437 -15.8880 0.1620 C.2 1 noname 0.0295 17 C13 0.9447 -18.1889 0.1220 C.2 1 noname 0.0130 18 N4 6.3725 -11.9950 6.7790 N.3 1 noname -0.1427 19 C14 1.8146 -19.2349 0.4201 C.2 1 noname 0.0297 20 C15 0.0366 -18.7699 -0.7568 C.2 1 noname -0.0662 21 C16 7.4765 -12.1919 7.6510 C.3 1 noname 0.0000 22 N5 1.4336 -20.3388 -0.2398 N.2 1 noname -0.2932 23 N6 0.3766 -20.0578 -0.9358 N.3 1 noname -0.0213 24 C17 7.7974 -10.8779 8.3770 C.3 1 noname -0.0405 25 C18 -0.3114 -20.9888 -1.7637 C.3 1 noname -0.0220 26 C19 8.9844 -11.0709 9.3331 C.3 1 noname -0.0549 27 C20 0.6175 -21.5028 -2.8776 C.3 1 noname -0.0199 28 C21 -0.8154 -22.1788 -0.9287 C.3 1 noname -0.0199 29 C22 9.3133 -9.7598 10.0571 C.3 1 noname -0.0653 30 C23 -0.1075 -22.5637 -3.7186 C.3 1 noname -0.0030 31 C24 -1.4864 -23.2147 -1.8416 C.3 1 noname -0.0030 32 N7 -0.5405 -23.6816 -2.8666 N.3 1 noname -0.3165 33 H1 6.0997 -16.2090 5.0809 H 1 noname 0.0651 34 H2 2.6317 -17.0870 1.8830 H 1 noname 0.0638 35 H3 4.3507 -11.6530 5.2040 H 1 noname 0.0662 36 H4 7.1307 -14.5510 6.5239 H 1 noname 0.0640 37 H5 0.2417 -12.3400 1.5250 H 1 noname 0.1258 38 H6 1.5606 -12.5440 2.5430 H 1 noname 0.1258 39 H7 -0.6802 -16.1289 -0.5158 H 1 noname 0.0846 40 H8 5.9755 -11.1100 6.7470 H 1 noname 0.1281 41 H9 2.6216 -19.1818 1.0421 H 1 noname 0.0863 42 H10 -0.7593 -18.3058 -1.1958 H 1 noname 0.0816 43 H11 7.2325 -12.9569 8.3901 H 1 noname 0.0431 44 H12 8.3504 -12.5049 7.0780 H 1 noname 0.0431 45 H13 8.0464 -10.1109 7.6421 H 1 noname 0.0279 46 H14 6.9244 -10.5579 8.9481 H 1 noname 0.0279 47 H15 -1.1744 -20.5098 -2.2327 H 1 noname 0.0527 48 H16 8.7353 -11.8338 10.0721 H 1 noname 0.0264 49 H17 9.8583 -11.3948 8.7661 H 1 noname 0.0264 50 H18 1.5114 -21.9467 -2.4356 H 1 noname 0.0299 51 H19 0.9124 -20.6707 -3.5186 H 1 noname 0.0299 52 H20 0.0244 -22.6477 -0.4126 H 1 noname 0.0299 53 H21 -1.5354 -21.8267 -0.1896 H 1 noname 0.0299 54 H22 10.1543 -9.9198 10.7321 H 1 noname 0.0230 55 H23 9.5773 -8.9928 9.3291 H 1 noname 0.0230 56 H24 8.4473 -9.4298 10.6331 H 1 noname 0.0230 57 H25 -0.9725 -22.1146 -4.2106 H 1 noname 0.0428 58 H26 0.5744 -22.9416 -4.4796 H 1 noname 0.0428 59 H27 -2.3625 -22.7727 -2.3186 H 1 noname 0.0428 60 H28 -1.8055 -24.0666 -1.2406 H 1 noname 0.0428 61 H29 -1.0465 -24.3366 -3.4665 H 1 noname 0.1222 @BOND 1 1 2 1 2 1 3 1 3 2 4 2 4 2 5 1 5 3 6 2 6 3 7 1 7 4 6 1 8 5 8 2 9 5 9 1 10 6 10 1 11 7 11 2 12 7 33 1 13 8 12 1 14 8 13 1 15 9 14 2 16 9 34 1 17 10 15 2 18 10 35 1 19 11 15 1 20 11 36 1 21 12 16 2 22 13 37 1 23 13 38 1 24 14 17 1 25 14 16 1 26 15 18 1 27 16 39 1 28 17 19 1 29 17 20 2 30 18 21 1 31 18 40 1 32 19 22 2 33 19 41 1 34 20 23 1 35 20 42 1 36 21 24 1 37 21 43 1 38 21 44 1 39 22 23 1 40 23 25 1 41 24 26 1 42 24 45 1 43 24 46 1 44 25 27 1 45 25 28 1 46 25 47 1 47 26 29 1 48 26 48 1 49 26 49 1 50 27 30 1 51 27 50 1 52 27 51 1 53 28 31 1 54 28 52 1 55 28 53 1 56 29 54 1 57 29 55 1 58 29 56 1 59 30 32 1 60 30 57 1 61 30 58 1 62 31 32 1 63 31 59 1 64 31 60 1 65 32 61 1 @SUBSTRUCTURE 1 noname 1