@MOLECULE DB04466 75 75 1 SMALL USER_CHARGES @ATOM 1 P1 -9.5811 -5.3166 3.6645 P 1 noname 0.0217 2 O1 -10.3286 -6.5491 3.9778 O.2 1 noname -0.2238 3 O2 -8.5603 -5.1045 4.8933 O.3 1 noname -0.1777 4 O3 -10.6628 -4.1340 3.5854 O.3 1 noname -0.1777 5 C1 -8.8007 -5.3884 2.2001 C.2 1 noname 0.1557 6 C2 -8.8758 -4.0144 5.7775 C.3 1 noname 0.0578 7 C3 -11.6092 -4.4254 2.5677 C.3 1 noname 0.0578 8 P2 -9.3444 -6.3959 1.0247 P 1 noname 0.0217 9 C4 -7.8466 -4.5496 1.7517 C.2 1 noname 0.0485 10 C5 -7.8254 -3.9374 6.8873 C.3 1 noname -0.0406 11 C6 -12.6405 -3.2978 2.4923 C.3 1 noname -0.0406 12 O4 -8.3183 -6.7688 0.0323 O.2 1 noname -0.2238 13 O5 -10.5186 -5.6489 0.2484 O.3 1 noname -0.1777 14 O6 -9.9735 -7.7534 1.5727 O.3 1 noname -0.1777 15 C7 -7.0326 -3.5324 2.2446 C.2 1 noname -0.0566 16 C8 -11.0170 -6.4914 -0.7802 C.3 1 noname 0.0578 17 C9 -8.9924 -8.4649 2.3127 C.3 1 noname 0.0578 18 C10 -6.4165 -3.6031 3.5185 C.2 1 noname -0.0437 19 C11 -6.7980 -2.4084 1.4104 C.2 1 noname -0.0437 20 C12 -12.1444 -5.7742 -1.5255 C.3 1 noname -0.0406 21 C13 -9.5965 -9.7684 2.8389 C.3 1 noname -0.0406 22 C14 -5.7053 -2.5020 4.0368 C.2 1 noname -0.0235 23 C15 -6.1069 -1.2739 1.9039 C.2 1 noname -0.0235 24 C16 -5.6513 -1.3042 3.2614 C.2 1 noname -0.0020 25 C17 -5.0422 -2.6869 5.3417 C.3 1 noname 0.0269 26 C18 -5.9534 -0.1308 0.9904 C.3 1 noname 0.0269 27 O7 -5.1317 -0.1847 3.8350 O.3 1 noname -0.2851 28 C19 -3.5364 -2.4663 5.1843 C.3 1 noname -0.0560 29 C20 -5.6031 -1.6785 6.3464 C.3 1 noname -0.0560 30 C21 -5.2993 -4.1078 5.8477 C.3 1 noname -0.0560 31 C22 -4.4656 0.1506 0.7712 C.3 1 noname -0.0560 32 C23 -6.6214 1.1030 1.6008 C.3 1 noname -0.0560 33 C24 -6.6138 -0.4574 -0.3505 C.3 1 noname -0.0560 34 H1 -8.7904 -3.1108 5.1740 H 1 noname 0.0573 35 H2 -9.8291 -4.2744 6.2377 H 1 noname 0.0573 36 H3 -11.0431 -4.4281 1.6363 H 1 noname 0.0573 37 H4 -12.1211 -5.3297 2.8970 H 1 noname 0.0573 38 H5 -7.6890 -4.7506 0.6921 H 1 noname 0.0645 39 H6 -7.5404 -4.9455 7.1884 H 1 noname 0.0254 40 H7 -6.9474 -3.4060 6.5203 H 1 noname 0.0254 41 H8 -8.2401 -3.4060 7.7439 H 1 noname 0.0254 42 H9 -12.9197 -2.9926 3.5008 H 1 noname 0.0254 43 H10 -12.2116 -2.4481 1.9612 H 1 noname 0.0254 44 H11 -13.5251 -3.6494 1.9612 H 1 noname 0.0254 45 H12 -10.1866 -6.6267 -1.4732 H 1 noname 0.0573 46 H13 -11.4454 -7.3531 -0.2682 H 1 noname 0.0573 47 H14 -8.2139 -8.7197 1.5936 H 1 noname 0.0573 48 H15 -8.7579 -7.8318 3.1685 H 1 noname 0.0573 49 H16 -6.4906 -4.5171 4.1079 H 1 noname 0.0632 50 H17 -7.1523 -2.4166 0.3797 H 1 noname 0.0632 51 H18 -12.8345 -5.3351 -0.8050 H 1 noname 0.0254 52 H19 -11.7232 -4.9873 -2.1512 H 1 noname 0.0254 53 H20 -12.6786 -6.4891 -2.1512 H 1 noname 0.0254 54 H21 -9.5913 -9.7573 3.9289 H 1 noname 0.0254 55 H22 -10.6217 -9.8641 2.4814 H 1 noname 0.0254 56 H23 -9.0068 -10.6125 2.4814 H 1 noname 0.0254 57 H24 -5.1701 -0.2674 4.7907 H 1 noname 0.2182 58 H25 -3.0742 -2.3986 6.1692 H 1 noname 0.0239 59 H26 -3.1021 -3.3022 4.6359 H 1 noname 0.0239 60 H27 -3.3601 -1.5410 4.6359 H 1 noname 0.0239 61 H28 -5.4083 -2.0287 7.3600 H 1 noname 0.0239 62 H29 -5.1225 -0.7115 6.1974 H 1 noname 0.0239 63 H30 -6.6781 -1.5768 6.1974 H 1 noname 0.0239 64 H31 -5.2999 -4.1108 6.9377 H 1 noname 0.0239 65 H32 -6.2664 -4.4539 5.4829 H 1 noname 0.0239 66 H33 -4.5149 -4.7709 5.4829 H 1 noname 0.0239 67 H34 -3.9676 0.2449 1.7361 H 1 noname 0.0239 68 H35 -4.0192 -0.6707 0.2106 H 1 noname 0.0239 69 H36 -4.3501 1.0783 0.2106 H 1 noname 0.0239 70 H37 -6.5848 1.0355 2.6881 H 1 noname 0.0239 71 H38 -6.0949 1.9999 1.2745 H 1 noname 0.0239 72 H39 -7.6602 1.1525 1.2745 H 1 noname 0.0239 73 H40 -6.6737 -1.5389 -0.4722 H 1 noname 0.0239 74 H41 -7.6175 -0.0330 -0.3742 H 1 noname 0.0239 75 H42 -6.0206 -0.0330 -1.1605 H 1 noname 0.0239 @BOND 1 1 2 2 2 1 3 1 3 1 4 1 4 1 5 1 5 3 6 1 6 4 7 1 7 5 8 1 8 5 9 2 9 6 10 1 10 7 11 1 11 8 12 2 12 8 13 1 13 8 14 1 14 9 15 1 15 13 16 1 16 14 17 1 17 15 18 2 18 15 19 1 19 16 20 1 20 17 21 1 21 18 22 1 22 19 23 2 23 22 24 2 24 22 25 1 25 23 26 1 26 23 24 1 27 24 27 1 28 25 28 1 29 25 29 1 30 25 30 1 31 26 31 1 32 26 32 1 33 26 33 1 34 6 34 1 35 6 35 1 36 7 36 1 37 7 37 1 38 9 38 1 39 10 39 1 40 10 40 1 41 10 41 1 42 11 42 1 43 11 43 1 44 11 44 1 45 16 45 1 46 16 46 1 47 17 47 1 48 17 48 1 49 18 49 1 50 19 50 1 51 20 51 1 52 20 52 1 53 20 53 1 54 21 54 1 55 21 55 1 56 21 56 1 57 27 57 1 58 28 58 1 59 28 59 1 60 28 60 1 61 29 61 1 62 29 62 1 63 29 63 1 64 30 64 1 65 30 65 1 66 30 66 1 67 31 67 1 68 31 68 1 69 31 69 1 70 32 70 1 71 32 71 1 72 32 72 1 73 33 73 1 74 33 74 1 75 33 75 1 @SUBSTRUCTURE 1 noname 1