@MOLECULE DB07351 57 58 1 SMALL USER_CHARGES @ATOM 1 P1 -3.5713 -4.4605 -0.1988 P 1 noname 0.0299 2 O1 -4.8864 -3.9791 0.2891 O.2 1 noname -0.2244 3 O2 -3.1311 -3.4115 -1.3608 O.3 1 noname -0.1702 4 O3 -3.8692 -5.8771 -0.8738 O.3 1 noname -0.1900 5 C1 -2.5046 -4.6307 1.1821 C.3 1 noname 0.1103 6 C2 -2.1120 -3.7873 -2.3103 C.3 1 noname 0.1603 7 N1 -1.0473 -4.7419 1.0813 N.3 1 noname -0.0651 8 C3 -2.2409 -2.8911 -3.5630 C.2 1 noname 0.1507 9 C4 -0.7339 -3.6363 -1.6178 C.3 1 noname 0.0093 10 C5 -0.3067 -4.8692 2.1908 C.2 1 noname 0.0497 11 O4 -2.4608 -3.4067 -4.6803 O.2 1 noname -0.2447 12 O5 -2.1161 -1.5516 -3.4504 O.3 1 noname -0.2102 13 C6 0.4053 -4.3786 -2.1540 C.2 1 noname -0.0536 14 O6 -0.8593 -4.8933 3.3118 O.2 1 noname -0.2900 15 C7 1.1456 -4.9800 2.0904 C.3 1 noname 0.0872 16 C8 1.4333 -3.5520 -2.7075 C.2 1 noname -0.0564 17 C9 0.4939 -5.8135 -2.1364 C.2 1 noname -0.0564 18 N2 1.6980 -5.1033 3.3818 N.3 1 noname -0.0302 19 C10 1.7069 -3.7282 1.4130 C.3 1 noname -0.0407 20 C11 2.5838 -4.1739 -3.2739 C.2 1 noname -0.0603 21 C12 1.6445 -6.4343 -2.7106 C.2 1 noname -0.0603 22 C13 2.4119 -6.1906 3.7041 C.2 1 noname 0.0510 23 C14 2.6781 -5.5997 -3.2607 C.2 1 noname -0.0616 24 O7 2.5881 -7.0955 2.8599 O.2 1 noname -0.2524 25 O8 2.9408 -6.3087 4.9405 O.3 1 noname -0.1973 26 C15 3.6972 -7.4609 5.2821 C.3 1 noname 0.0828 27 C16 4.1558 -7.3500 6.6638 C.2 1 noname -0.0434 28 C17 4.9206 -8.3655 7.2259 C.2 1 noname -0.0497 29 C18 3.8276 -6.2289 7.4171 C.2 1 noname -0.0497 30 C19 5.3572 -8.2599 8.5413 C.2 1 noname -0.0585 31 C20 4.2642 -6.1233 8.7326 C.2 1 noname -0.0585 32 C21 5.0290 -7.1388 9.2946 C.2 1 noname -0.0611 33 H1 -4.0076 -6.5352 -0.1888 H 1 noname 0.2260 34 H2 -2.5679 -3.7126 1.7661 H 1 noname 0.0587 35 H3 -2.7191 -5.5909 1.6513 H 1 noname 0.0587 36 H4 -2.2799 -4.8261 -2.5944 H 1 noname 0.0726 37 H5 -0.5326 -4.7302 0.2124 H 1 noname 0.1319 38 H6 -0.4436 -2.5941 -1.7498 H 1 noname 0.0348 39 H7 -0.8550 -4.0455 -0.6147 H 1 noname 0.0348 40 H8 -2.0935 -1.3092 -2.5218 H 1 noname 0.2214 41 H9 1.3967 -5.8989 1.5605 H 1 noname 0.0564 42 H10 1.3413 -2.4659 -2.6979 H 1 noname 0.0625 43 H11 -0.2974 -6.4198 -1.6955 H 1 noname 0.0625 44 H12 1.5795 -4.3960 4.0929 H 1 noname 0.1342 45 H13 2.0263 -3.0158 2.1736 H 1 noname 0.0251 46 H14 2.5592 -4.0026 0.7914 H 1 noname 0.0251 47 H15 0.9351 -3.2743 0.7914 H 1 noname 0.0251 48 H16 3.3788 -3.5690 -3.7101 H 1 noname 0.0622 49 H17 1.7320 -7.5207 -2.7287 H 1 noname 0.0622 50 H18 3.5676 -6.0661 -3.6841 H 1 noname 0.0622 51 H19 3.0078 -8.3039 5.2370 H 1 noname 0.0625 52 H20 4.5819 -7.4457 4.6456 H 1 noname 0.0625 53 H21 5.1780 -9.2446 6.6351 H 1 noname 0.0626 54 H22 3.2279 -5.4325 6.9764 H 1 noname 0.0626 55 H23 5.9570 -9.0562 8.9820 H 1 noname 0.0622 56 H24 4.0068 -5.2442 9.3233 H 1 noname 0.0622 57 H25 5.3714 -7.0560 10.3261 H 1 noname 0.0622 @BOND 1 1 2 2 2 1 3 1 3 1 4 1 4 1 5 1 5 6 3 1 6 5 7 1 7 6 8 1 8 6 9 1 9 7 10 1 10 8 11 2 11 8 12 1 12 9 13 1 13 10 14 2 14 10 15 1 15 13 16 2 16 13 17 1 17 15 18 1 18 15 19 1 19 16 20 1 20 17 21 2 21 18 22 1 22 20 23 2 23 21 23 1 24 22 24 2 25 22 25 1 26 25 26 1 27 26 27 1 28 27 28 2 29 27 29 1 30 28 30 1 31 29 31 2 32 30 32 2 33 31 32 1 34 4 33 1 35 5 34 1 36 5 35 1 37 6 36 1 38 7 37 1 39 9 38 1 40 9 39 1 41 12 40 1 42 15 41 1 43 16 42 1 44 17 43 1 45 18 44 1 46 19 45 1 47 19 46 1 48 19 47 1 49 20 48 1 50 21 49 1 51 23 50 1 52 26 51 1 53 26 52 1 54 28 53 1 55 29 54 1 56 30 55 1 57 31 56 1 58 32 57 1 @SUBSTRUCTURE 1 noname 1