@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50445232 38 41 1 SMALL USER_CHARGES @ATOM 1 O1 20.6176 -3.2265 -1.6559 O.3 1 noname -0.2757 2 C1 21.8926 -3.1545 -1.2079 C.2 1 noname 0.0266 3 C2 22.6266 -1.9694 -1.3758 C.2 1 noname 0.0240 4 C3 22.4826 -4.2615 -0.5738 C.2 1 noname -0.0095 5 O2 22.0646 -0.9023 -1.9848 O.3 1 noname -0.2761 6 C4 23.9476 -1.8943 -0.9088 C.2 1 noname -0.0198 7 C5 23.8146 -4.2104 -0.0937 C.2 1 noname -0.0436 8 C6 24.5336 -3.0033 -0.2747 C.2 1 noname -0.0495 9 C7 24.4126 -5.3344 0.5502 C.2 1 noname -0.0365 10 C8 24.0985 -6.6644 0.1623 C.2 1 noname 0.0060 11 C9 25.3435 -5.1704 1.6083 C.2 1 noname -0.0172 12 N1 24.6605 -7.7354 0.7823 N.2 1 noname -0.2514 13 C10 25.9235 -6.2963 2.2184 C.2 1 noname -0.0020 14 C11 25.5465 -7.5643 1.7874 C.2 1 noname 0.0613 15 C12 26.8405 -6.4583 3.2634 C.2 1 noname -0.0151 16 N2 26.1844 -8.4803 2.5235 N.3 1 noname -0.0455 17 C13 27.5255 -5.4752 4.0275 C.2 1 noname -0.0511 18 C14 26.9585 -7.8443 3.4195 C.2 1 noname -0.1087 19 C15 27.8644 -5.7262 5.3776 C.2 1 noname -0.0331 20 C16 27.9094 -4.2351 3.4656 C.2 1 noname -0.0331 21 C17 28.5464 -4.7661 6.1447 C.2 1 noname -0.0269 22 C18 28.5904 -3.2731 4.2306 C.2 1 noname -0.0269 23 C19 28.9074 -3.5370 5.5727 C.2 1 noname 0.0036 24 O3 29.5623 -2.6159 6.3148 O.3 1 noname -0.2856 25 H1 20.1776 -4.0875 -1.4969 H 1 noname 0.2183 26 H2 21.9225 -5.1075 -0.4527 H 1 noname 0.0657 27 H3 21.1405 -1.0563 -2.2738 H 1 noname 0.2183 28 H4 24.4836 -1.0343 -1.0307 H 1 noname 0.0651 29 H5 25.4996 -2.9223 0.0433 H 1 noname 0.0630 30 H6 23.4435 -6.8393 -0.6006 H 1 noname 0.0846 31 H7 25.5785 -4.2373 1.9444 H 1 noname 0.0637 32 H8 26.0964 -9.4403 2.4285 H 1 noname 0.1537 33 H9 27.5544 -8.3143 4.1015 H 1 noname 0.0796 34 H10 27.6074 -6.6102 5.8207 H 1 noname 0.0630 35 H11 27.7154 -4.0261 2.4866 H 1 noname 0.0630 36 H12 28.7773 -4.9621 7.1197 H 1 noname 0.0650 37 H13 28.8584 -2.3840 3.8067 H 1 noname 0.0650 38 H14 29.7773 -1.7869 5.8388 H 1 noname 0.2181 @BOND 1 1 2 1 2 1 25 1 3 2 3 2 4 2 4 1 5 3 5 1 6 3 6 1 7 4 7 2 8 4 26 1 9 5 27 1 10 6 8 2 11 6 28 1 12 7 9 1 13 7 8 1 14 8 29 1 15 9 10 2 16 9 11 1 17 10 12 1 18 10 30 1 19 11 13 2 20 11 31 1 21 12 14 2 22 13 15 1 23 13 14 1 24 14 16 1 25 15 17 1 26 15 18 2 27 16 18 1 28 16 32 1 29 17 19 2 30 17 20 1 31 18 33 1 32 19 21 1 33 19 34 1 34 20 22 2 35 20 35 1 36 21 23 2 37 21 36 1 38 22 23 1 39 22 37 1 40 23 24 1 41 24 38 1 @SUBSTRUCTURE 1 noname 1