@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3192 53 55 1 SMALL USER_CHARGES @ATOM 1 O1 10.1935 -0.1736 -2.7807 O.2 1 noname -0.2575 2 C1 9.5564 -1.1606 -3.1257 C.2 1 noname 0.0940 3 O2 9.1683 -1.2775 -4.3987 O.3 1 noname -0.2071 4 C2 9.2303 -2.1466 -2.2076 C.2 1 noname 0.0281 5 C3 9.4833 -0.2504 -5.3407 C.3 1 noname 0.0571 6 C4 8.7183 -3.3885 -2.6376 C.2 1 noname 0.0191 7 C5 9.3953 -1.9385 -0.8225 C.2 1 noname 0.0191 8 C6 8.8932 -0.6264 -6.7057 C.3 1 noname -0.0249 9 C7 8.3802 -4.3935 -1.7135 C.2 1 noname 0.0604 10 C8 9.0562 -2.9365 0.1075 C.2 1 noname 0.0604 11 C9 9.2032 0.4686 -7.7437 C.3 1 noname -0.0257 12 O3 7.9081 -5.5685 -2.1895 O.3 1 noname -0.2755 13 C10 8.5402 -4.1785 -0.3254 C.2 1 noname 0.0529 14 O4 9.2242 -2.6735 1.4246 O.3 1 noname -0.2755 15 C11 8.5961 0.1686 -9.0567 C.2 1 noname -0.0668 16 C12 8.2111 -5.1575 0.6016 C.2 1 noname 0.1031 17 C13 7.5720 0.9857 -9.5786 C.2 1 noname -0.0480 18 C14 9.0411 -0.9373 -9.8087 C.2 1 noname -0.0480 19 O5 9.0201 -5.4434 1.4746 O.2 1 noname -0.2873 20 C15 7.0051 -5.8415 0.5926 C.2 1 noname 0.0562 21 C16 6.9970 0.6957 -10.8277 C.2 1 noname -0.0314 22 C17 8.4680 -1.2282 -11.0587 C.2 1 noname -0.0314 23 C18 7.0220 -7.2375 0.3626 C.2 1 noname 0.0517 24 C19 5.7590 -5.1864 0.7877 C.2 1 noname 0.0411 25 C20 7.4440 -0.4112 -11.5686 C.2 1 noname -0.0019 26 O6 8.1900 -7.8925 0.1667 O.3 1 noname -0.2772 27 C21 5.8239 -7.9695 0.3157 C.2 1 noname 0.0017 28 C22 5.6709 -3.8363 1.0497 C.2 1 noname 0.0947 29 C23 4.5639 -5.9354 0.7297 C.2 1 noname -0.0086 30 O7 6.8849 -0.6842 -12.7686 O.3 1 noname -0.2861 31 C24 4.5948 -7.3184 0.4957 C.2 1 noname -0.0188 32 O8 4.8928 -3.1212 0.4378 O.2 1 noname -0.2580 33 O9 6.4099 -3.2822 1.9928 O.3 1 noname -0.2180 34 H1 9.0542 0.6976 -5.0096 H 1 noname 0.0573 35 H2 10.5663 -0.1484 -5.4276 H 1 noname 0.0573 36 H3 8.5922 -3.5705 -3.6346 H 1 noname 0.0658 37 H4 9.7623 -1.0484 -0.4814 H 1 noname 0.0658 38 H5 9.3242 -1.5774 -7.0236 H 1 noname 0.0293 39 H6 7.8131 -0.7404 -6.6016 H 1 noname 0.0293 40 H7 8.8241 1.4186 -7.3606 H 1 noname 0.0316 41 H8 10.2842 0.5567 -7.8616 H 1 noname 0.0316 42 H9 7.8411 -5.6205 -3.1665 H 1 noname 0.2182 43 H10 9.6102 -1.7954 1.6226 H 1 noname 0.2182 44 H11 7.2400 1.7917 -9.0486 H 1 noname 0.0626 45 H12 9.7861 -1.5343 -9.4466 H 1 noname 0.0626 46 H13 6.2539 1.2898 -11.1966 H 1 noname 0.0650 47 H14 8.7970 -2.0312 -11.5937 H 1 noname 0.0650 48 H15 8.1000 -8.8575 0.0227 H 1 noname 0.2182 49 H16 5.8449 -8.9745 0.1457 H 1 noname 0.0650 50 H17 3.6618 -5.4763 0.8668 H 1 noname 0.0631 51 H18 7.2519 -1.4722 -13.2206 H 1 noname 0.2181 52 H19 3.7247 -7.8504 0.4588 H 1 noname 0.0623 53 H20 6.2779 -2.3162 2.0799 H 1 noname 0.2216 @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 34 1 9 5 35 1 10 6 9 1 11 6 36 1 12 7 10 2 13 7 37 1 14 8 11 1 15 8 38 1 16 8 39 1 17 9 12 1 18 9 13 2 19 10 14 1 20 10 13 1 21 11 15 1 22 11 40 1 23 11 41 1 24 12 42 1 25 13 16 1 26 14 43 1 27 15 17 2 28 15 18 1 29 16 19 2 30 16 20 1 31 17 21 1 32 17 44 1 33 18 22 2 34 18 45 1 35 20 23 2 36 20 24 1 37 21 25 2 38 21 46 1 39 22 25 1 40 22 47 1 41 23 26 1 42 23 27 1 43 24 28 1 44 24 29 2 45 25 30 1 46 26 48 1 47 27 31 2 48 27 49 1 49 28 32 2 50 28 33 1 51 29 31 1 52 29 50 1 53 30 51 1 54 31 52 1 55 33 53 1 @SUBSTRUCTURE 1 noname 1