@MOLECULE 73415787 44 43 1 SMALL USER_CHARGES @ATOM 1 O1 -6.1787 5.7088 -0.2190 O.3 1 noname -0.2189 2 O2 -6.7721 3.5610 0.1086 O.2 1 noname -0.2559 3 C1 0.1639 -1.8658 0.6487 C.3 1 noname -0.0533 4 C2 -1.3018 -1.4272 0.6359 C.3 1 noname -0.0533 5 C3 0.2417 -3.3788 0.8626 C.3 1 noname -0.0533 6 C4 -1.3795 0.0858 0.4220 C.3 1 noname -0.0533 7 C5 1.7074 -3.8175 0.8754 C.3 1 noname -0.0533 8 C6 -2.8452 0.5244 0.4093 C.3 1 noname -0.0533 9 C7 1.7851 -5.3304 1.0893 C.3 1 noname -0.0533 10 C8 -2.9230 2.0374 0.1954 C.3 1 noname -0.0528 11 C9 3.2508 -5.7691 1.1020 C.3 1 noname -0.0535 12 C10 -4.3887 2.4760 0.1826 C.3 1 noname -0.0439 13 C11 3.3286 -7.2821 1.3159 C.3 1 noname -0.0561 14 C12 -4.4664 3.9890 -0.0313 C.3 1 noname 0.0335 15 C13 4.7943 -7.7207 1.3287 C.3 1 noname -0.0654 16 C14 -5.8651 4.4076 -0.0435 C.2 1 noname 0.1348 17 H1 0.6283 -1.6092 -0.3034 H 1 noname 0.0266 18 H2 0.6884 -1.3571 1.4576 H 1 noname 0.0266 19 H3 -1.8262 -1.9359 -0.1729 H 1 noname 0.0266 20 H4 -1.7662 -1.6839 1.5881 H 1 noname 0.0266 21 H5 -0.2828 -3.8875 0.0537 H 1 noname 0.0266 22 H6 -0.2227 -3.6355 1.8148 H 1 noname 0.0266 23 H7 -0.9151 0.3424 -0.5301 H 1 noname 0.0266 24 H8 -0.8550 0.5945 1.2309 H 1 noname 0.0266 25 H9 2.1718 -3.5608 -0.0768 H 1 noname 0.0266 26 H10 2.2318 -3.3087 1.6842 H 1 noname 0.0266 27 H11 -3.3697 0.0157 -0.3996 H 1 noname 0.0266 28 H12 -3.3096 0.2677 1.3614 H 1 noname 0.0266 29 H13 1.2607 -5.8392 0.2804 H 1 noname 0.0266 30 H14 1.3207 -5.5871 2.0414 H 1 noname 0.0266 31 H15 -2.4586 2.2940 -0.7568 H 1 noname 0.0267 32 H16 -2.3985 2.5461 1.0042 H 1 noname 0.0267 33 H17 3.7152 -5.5124 0.1499 H 1 noname 0.0266 34 H18 3.7753 -5.2604 1.9109 H 1 noname 0.0266 35 H19 -4.9131 1.9673 -0.6263 H 1 noname 0.0272 36 H20 -4.8530 2.2193 1.1347 H 1 noname 0.0272 37 H21 2.8041 -7.7908 0.5071 H 1 noname 0.0264 38 H22 2.8642 -7.5387 2.2681 H 1 noname 0.0264 39 H23 -4.0020 4.2457 -0.9834 H 1 noname 0.0372 40 H24 -3.9419 4.4977 0.7776 H 1 noname 0.0372 41 H25 4.8497 -8.7986 1.4811 H 1 noname 0.0230 42 H26 5.2587 -7.4640 0.3766 H 1 noname 0.0230 43 H27 5.3187 -7.2120 2.1376 H 1 noname 0.0230 44 H28 -6.9927 6.0755 0.1852 H 1 noname 0.2213 @BOND 1 1 16 1 2 1 44 1 3 2 16 2 4 3 4 1 5 3 5 1 6 3 17 1 7 3 18 1 8 4 6 1 9 4 19 1 10 4 20 1 11 5 7 1 12 5 21 1 13 5 22 1 14 6 8 1 15 6 23 1 16 6 24 1 17 7 9 1 18 7 25 1 19 7 26 1 20 8 10 1 21 8 27 1 22 8 28 1 23 9 11 1 24 9 29 1 25 9 30 1 26 10 12 1 27 10 31 1 28 10 32 1 29 11 13 1 30 11 33 1 31 11 34 1 32 12 14 1 33 12 35 1 34 12 36 1 35 13 15 1 36 13 37 1 37 13 38 1 38 14 16 1 39 14 39 1 40 14 40 1 41 15 41 1 42 15 42 1 43 15 43 1 @SUBSTRUCTURE 1 noname 1