@MOLECULE DB02840 43 46 1 SMALL USER_CHARGES @ATOM 1 O1 -0.9895 1.0651 6.5055 O.2 1 noname -0.2509 2 C1 -1.4800 1.3252 5.3845 C.2 1 noname 0.0966 3 O2 -2.1242 0.3354 4.7283 O.3 1 noname -0.2126 4 C2 -1.4009 2.6187 4.8374 C.2 1 noname -0.0185 5 N1 -1.4248 3.6982 5.6307 N.3 1 noname 0.0122 6 C3 -1.2681 3.0361 3.4847 C.2 1 noname 0.0732 7 N2 -1.3519 4.7576 4.9020 N.2 1 noname -0.2713 8 C4 -1.0206 2.1640 2.3346 C.2 1 noname -0.0357 9 C5 -1.2637 4.4748 3.5870 C.2 1 noname 0.0633 10 C6 -1.5506 2.3772 1.0121 C.2 1 noname 0.0078 11 C7 -0.0891 1.0815 2.5290 C.2 1 noname -0.0332 12 C8 -1.1420 5.5984 2.6676 C.2 1 noname -0.0166 13 C9 -0.9671 1.6468 -0.0609 C.2 1 noname 0.0375 14 C10 0.4389 0.2799 1.4864 C.2 1 noname -0.0111 15 C11 -1.2205 7.0004 3.0213 C.2 1 noname 0.0255 16 C12 -0.9391 5.3162 1.2991 C.2 1 noname -0.0174 17 O3 -1.1846 1.7910 -1.3818 O.3 1 noname -0.2446 18 C13 0.0240 0.6811 0.1902 C.2 1 noname 0.0421 19 O4 -1.3300 7.4490 4.2945 O.3 1 noname -0.2801 20 C14 -1.1922 8.0601 2.0836 C.2 1 noname 0.0011 21 C15 -0.8905 6.3105 0.2928 C.2 1 noname -0.0328 22 C16 -0.1049 1.0239 -1.9488 C.3 1 noname 0.1587 23 O5 0.5462 0.2105 -0.9599 O.3 1 noname -0.2443 24 C17 -1.0570 7.6685 0.7263 C.2 1 noname 0.0125 25 C18 -0.5515 5.9064 -1.1183 C.3 1 noname 0.0135 26 O6 -1.0155 8.6799 -0.1693 O.3 1 noname -0.2833 27 C19 -1.4908 4.9321 -1.8907 C.3 1 noname -0.0612 28 H1 -2.5165 -0.2674 5.3641 H 1 noname 0.2217 29 H2 -1.4888 3.7115 6.6386 H 1 noname 0.1757 30 H3 -2.3702 3.0719 0.8285 H 1 noname 0.0657 31 H4 0.2413 0.8515 3.5419 H 1 noname 0.0630 32 H5 1.1023 -0.5663 1.6648 H 1 noname 0.0651 33 H6 -0.8133 4.2746 1.0036 H 1 noname 0.0634 34 H7 -1.3817 6.7010 4.8941 H 1 noname 0.2182 35 H8 -1.2693 9.1046 2.3855 H 1 noname 0.0677 36 H9 -0.5592 0.3340 -2.6600 H 1 noname 0.0892 37 H10 0.6387 1.7451 -2.2880 H 1 noname 0.0892 38 H11 -0.5909 6.8437 -1.6734 H 1 noname 0.0314 39 H12 0.3936 5.3731 -1.0157 H 1 noname 0.0314 40 H13 -0.9812 9.5186 0.2966 H 1 noname 0.2182 41 H14 -2.0634 4.3383 -1.1783 H 1 noname 0.0234 42 H15 -2.1738 5.5061 -2.5171 H 1 noname 0.0234 43 H16 -0.8924 4.2706 -2.5171 H 1 noname 0.0234 @BOND 1 1 2 2 2 2 3 1 3 2 4 1 4 4 5 1 5 4 6 2 6 5 7 1 7 6 8 1 8 6 9 1 9 7 9 2 10 8 10 2 11 8 11 1 12 9 12 1 13 10 13 1 14 11 14 2 15 12 15 2 16 12 16 1 17 13 17 1 18 13 18 2 19 14 18 1 20 15 19 1 21 15 20 1 22 16 21 2 23 17 22 1 24 18 23 1 25 20 24 2 26 21 25 1 27 21 24 1 28 22 23 1 29 24 26 1 30 25 27 1 31 3 28 1 32 5 29 1 33 10 30 1 34 11 31 1 35 14 32 1 36 16 33 1 37 19 34 1 38 20 35 1 39 22 36 1 40 22 37 1 41 25 38 1 42 25 39 1 43 26 40 1 44 27 41 1 45 27 42 1 46 27 43 1 @SUBSTRUCTURE 1 noname 1