@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3208 71 74 1 SMALL USER_CHARGES @ATOM 1 O1 7.0385 -3.9160 2.6688 O.2 1 noname -0.2573 2 C1 5.9305 -4.2719 3.0449 C.2 1 noname 0.0948 3 O2 5.4435 -5.4479 2.6409 O.3 1 noname -0.2035 4 C2 5.1635 -3.4609 3.8649 C.2 1 noname 0.0282 5 C3 6.1755 -6.2978 1.7490 C.3 1 noname 0.0846 6 C4 5.4925 -2.1019 4.0650 C.2 1 noname 0.0185 7 C5 4.0265 -3.9769 4.5209 C.2 1 noname 0.0185 8 C6 5.5334 -7.7008 1.7890 C.3 1 noname 0.0537 9 C7 6.2604 -5.7168 0.3200 C.3 1 noname -0.0233 10 C8 4.7014 -1.2789 4.8860 C.2 1 noname 0.0593 11 C9 3.2345 -3.1608 5.3480 C.2 1 noname 0.0593 12 N1 6.5003 -8.6597 1.3690 N.3 1 noname -0.0733 13 C10 4.2524 -7.8227 0.9361 C.3 1 noname 0.0136 14 C11 5.0154 -4.9118 -0.1008 C.3 1 noname -0.0381 15 O3 5.0624 0.0141 5.0520 O.3 1 noname -0.2760 16 C12 3.5584 -1.7998 5.5270 C.2 1 noname 0.0510 17 O4 2.1515 -3.6978 5.9540 O.3 1 noname -0.2760 18 C13 6.3433 -10.0006 1.5061 C.2 1 noname 0.0096 19 N2 3.4484 -6.5897 0.9121 N.3 1 noname -0.3150 20 C14 3.7434 -5.7557 -0.2638 C.3 1 noname -0.0046 21 C15 2.7594 -0.9988 6.3151 C.2 1 noname 0.1226 22 O5 5.2923 -10.4256 2.0381 O.2 1 noname -0.2963 23 C16 7.3343 -10.9076 1.0571 C.2 1 noname -0.0244 24 O6 2.6543 -1.2778 7.5011 O.2 1 noname -0.2900 25 C17 2.0414 0.1441 5.7681 C.3 1 noname 0.0346 26 C18 8.6182 -10.4605 0.6681 C.2 1 noname -0.0079 27 C19 7.0572 -12.2925 0.9841 C.2 1 noname -0.0079 28 C20 1.0393 -0.2628 4.6542 C.3 1 noname 0.0549 29 C21 1.3533 0.9811 6.8711 C.3 1 noname -0.0423 30 C22 9.5901 -11.3675 0.2142 C.2 1 noname -0.0175 31 C23 8.0281 -13.2014 0.5302 C.2 1 noname -0.0175 32 C24 0.1093 -1.2977 5.0472 C.2 1 noname 0.1368 33 C25 0.3023 0.9791 4.1092 C.3 1 noname -0.0403 34 C26 0.6753 2.2211 6.2722 C.3 1 noname -0.0525 35 C27 9.2961 -12.7374 0.1422 C.2 1 noname 0.0141 36 O7 0.0583 -2.3437 4.4213 O.2 1 noname -0.2546 37 O8 -0.7096 -1.1497 6.0692 O.3 1 noname -0.2178 38 C28 -0.3616 1.8102 5.2192 C.3 1 noname -0.0525 39 O9 10.2330 -13.6043 -0.2996 O.3 1 noname -0.2838 40 H1 7.1914 -6.3968 2.1370 H 1 noname 0.0627 41 H2 6.3124 -1.7049 3.6050 H 1 noname 0.0658 42 H3 3.7675 -4.9568 4.4010 H 1 noname 0.0658 43 H4 5.2744 -7.9047 2.8300 H 1 noname 0.0510 44 H5 7.1143 -5.0398 0.2841 H 1 noname 0.0294 45 H6 6.4344 -6.5198 -0.3968 H 1 noname 0.0294 46 H7 7.3213 -8.3317 0.9751 H 1 noname 0.1318 47 H8 4.5154 -8.1247 -0.0788 H 1 noname 0.0445 48 H9 3.6344 -8.6106 1.3681 H 1 noname 0.0445 49 H10 5.2263 -4.4357 -1.0588 H 1 noname 0.0280 50 H11 4.8253 -4.1247 0.6281 H 1 noname 0.0280 51 H12 5.8803 0.2751 4.5781 H 1 noname 0.2182 52 H13 1.9944 -4.6447 5.7561 H 1 noname 0.2182 53 H14 3.6763 -6.0486 1.7491 H 1 noname 0.1222 54 H15 2.9074 -5.0707 -0.4058 H 1 noname 0.0427 55 H16 3.8243 -6.3737 -1.1587 H 1 noname 0.0427 56 H17 2.7753 0.8061 5.3072 H 1 noname 0.0394 57 H18 8.8591 -9.4695 0.7102 H 1 noname 0.0631 58 H19 6.1402 -12.6505 1.2572 H 1 noname 0.0631 59 H20 1.6243 -0.6557 3.8212 H 1 noname 0.0416 60 H21 0.6113 0.3802 7.3972 H 1 noname 0.0274 61 H22 2.1042 1.3121 7.5892 H 1 noname 0.0274 62 H23 10.5111 -11.0295 -0.0666 H 1 noname 0.0650 63 H24 7.8091 -14.1953 0.4802 H 1 noname 0.0650 64 H25 1.0242 1.6122 3.5923 H 1 noname 0.0275 65 H26 -0.4586 0.6702 3.3903 H 1 noname 0.0275 66 H27 0.1802 2.7802 7.0662 H 1 noname 0.0267 67 H28 1.4302 2.8581 5.8092 H 1 noname 0.0267 68 H29 -1.2607 -1.9396 6.2443 H 1 noname 0.2213 69 H30 -0.7967 2.7082 4.7783 H 1 noname 0.0267 70 H31 -1.1556 1.2342 5.6933 H 1 noname 0.0267 71 H32 9.9470 -14.5413 -0.3206 H 1 noname 0.2181 @BOND 1 1 2 2 2 2 3 1 3 2 4 1 4 3 5 1 5 4 6 2 6 4 7 1 7 5 8 1 8 5 9 1 9 5 40 1 10 6 10 1 11 6 41 1 12 7 11 2 13 7 42 1 14 8 12 1 15 8 13 1 16 8 43 1 17 9 14 1 18 9 44 1 19 9 45 1 20 10 15 1 21 10 16 2 22 11 17 1 23 11 16 1 24 12 18 1 25 12 46 1 26 13 19 1 27 13 47 1 28 13 48 1 29 14 20 1 30 14 49 1 31 14 50 1 32 15 51 1 33 16 21 1 34 17 52 1 35 18 22 2 36 18 23 1 37 19 20 1 38 19 53 1 39 20 54 1 40 20 55 1 41 21 24 2 42 21 25 1 43 23 26 2 44 23 27 1 45 25 28 1 46 25 29 1 47 25 56 1 48 26 30 1 49 26 57 1 50 27 31 2 51 27 58 1 52 28 32 1 53 28 33 1 54 28 59 1 55 29 34 1 56 29 60 1 57 29 61 1 58 30 35 2 59 30 62 1 60 31 35 1 61 31 63 1 62 32 36 2 63 32 37 1 64 33 38 1 65 33 64 1 66 33 65 1 67 34 38 1 68 34 66 1 69 34 67 1 70 35 39 1 71 37 68 1 72 38 69 1 73 38 70 1 74 39 71 1 @SUBSTRUCTURE 1 noname 1