@MOLECULE DB07349 66 65 1 SMALL USER_CHARGES @ATOM 1 P1 3.3756 3.1798 -1.9433 P 1 noname -0.1434 2 O1 3.5190 3.5305 -3.3326 O.2 1 noname -0.3670 3 O2 2.1483 2.2661 -1.7686 O.3 1 noname -0.2517 4 O3 4.6391 2.4388 -1.4679 O.3 1 noname -0.2517 5 O4 3.1860 4.4595 -1.1078 O.3 1 noname -0.3670 6 C1 2.0068 1.9203 -0.3987 C.3 1 noname 0.0790 7 C2 5.7707 3.2812 -1.6289 C.3 1 noname 0.0780 8 C3 0.7875 1.0126 -0.2251 C.3 1 noname 0.1144 9 C4 7.0260 2.5450 -1.1565 C.3 1 noname 0.1003 10 O5 0.9623 -0.1674 -0.9955 O.3 1 noname -0.2013 11 C5 0.6351 0.6399 1.2510 C.3 1 noname 0.0855 12 O6 8.1577 3.3875 -1.3176 O.3 1 noname -0.3882 13 C6 7.2144 1.2737 -1.9867 C.3 1 noname 0.0714 14 C7 0.0063 -1.1205 -0.9968 C.2 1 noname 0.1421 15 O7 0.4603 1.8199 2.0214 O.3 1 noname -0.2051 16 O8 8.3794 0.5904 -1.5482 O.3 1 noname -0.3935 17 O9 0.1601 -2.1592 -1.6750 O.2 1 noname -0.2537 18 C8 -1.2074 -0.9381 -0.2061 C.3 1 noname 0.0337 19 C9 0.3045 1.7353 3.3597 C.2 1 noname 0.1407 20 C10 -2.4265 -0.9600 -1.1304 C.3 1 noname -0.0439 21 O10 0.1506 2.7740 4.0379 O.2 1 noname -0.2540 22 C11 0.3158 0.4306 4.0150 C.3 1 noname 0.0337 23 C12 -3.6983 -0.7689 -0.3018 C.3 1 noname -0.0528 24 C13 -1.0169 0.2090 4.7332 C.3 1 noname -0.0442 25 C14 -4.9174 -0.7908 -1.2261 C.3 1 noname -0.0533 26 C15 -1.0050 -1.1582 5.4198 C.3 1 noname -0.0556 27 C16 -6.1892 -0.5996 -0.3974 C.3 1 noname -0.0535 28 C17 -2.3377 -1.3797 6.1380 C.3 1 noname -0.0654 29 C18 -7.4083 -0.6215 -1.3218 C.3 1 noname -0.0561 30 C19 -8.6801 -0.4304 -0.4931 C.3 1 noname -0.0654 31 H1 2.8967 1.3414 -0.1515 H 1 noname 0.0593 32 H2 1.8058 2.8583 0.1188 H 1 noname 0.0593 33 H3 5.8600 3.4462 -2.7027 H 1 noname 0.0593 34 H4 5.6025 4.1253 -0.9600 H 1 noname 0.0593 35 H5 -0.1167 1.4821 -0.6125 H 1 noname 0.0658 36 H6 6.9789 2.3212 -0.0908 H 1 noname 0.0648 37 H7 -0.2927 0.0790 1.3636 H 1 noname 0.0601 38 H8 1.5772 0.2086 1.5894 H 1 noname 0.0601 39 H9 8.4951 3.6387 -0.4547 H 1 noname 0.2106 40 H10 6.3840 0.6020 -1.7688 H 1 noname 0.0591 41 H11 7.4206 1.5695 -3.0153 H 1 noname 0.0591 42 H12 8.4009 0.5778 -0.5886 H 1 noname 0.2101 43 H13 -1.2736 -1.8086 0.4467 H 1 noname 0.0372 44 H14 -1.1379 0.0612 0.2235 H 1 noname 0.0372 45 H15 -2.3423 -0.0908 -1.7828 H 1 noname 0.0272 46 H16 -2.4780 -1.9606 -1.5596 H 1 noname 0.0272 47 H17 0.3850 -0.3062 3.2147 H 1 noname 0.0372 48 H18 1.0948 0.4839 4.7755 H 1 noname 0.0372 49 H19 -3.7825 -1.6381 0.3506 H 1 noname 0.0267 50 H20 -3.6468 0.2317 0.1275 H 1 noname 0.0267 51 H21 -1.0767 0.9575 5.5233 H 1 noname 0.0272 52 H22 -1.7865 0.1674 3.9625 H 1 noname 0.0272 53 H23 -4.8332 0.0784 -1.8784 H 1 noname 0.0266 54 H24 -4.9689 -1.7914 -1.6553 H 1 noname 0.0266 55 H25 -0.9452 -1.9066 4.6296 H 1 noname 0.0264 56 H26 -0.2353 -1.1166 6.1905 H 1 noname 0.0264 57 H27 -6.2734 -1.4688 0.2549 H 1 noname 0.0266 58 H28 -6.1377 0.4010 0.0318 H 1 noname 0.0266 59 H29 -2.1783 -1.3532 7.2160 H 1 noname 0.0230 60 H30 -3.0380 -0.5940 5.8549 H 1 noname 0.0230 61 H31 -2.7461 -2.3499 5.8549 H 1 noname 0.0230 62 H32 -7.3241 0.2477 -1.9741 H 1 noname 0.0264 63 H33 -7.4598 -1.6221 -1.7510 H 1 noname 0.0264 64 H34 -8.4318 -0.4677 0.5676 H 1 noname 0.0230 65 H35 -9.1251 0.5365 -0.7283 H 1 noname 0.0230 66 H36 -9.3896 -1.2237 -0.7283 H 1 noname 0.0230 @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 6 8 1 8 7 9 1 9 8 10 1 10 8 11 1 11 9 12 1 12 9 13 1 13 10 14 1 14 11 15 1 15 13 16 1 16 14 17 2 17 14 18 1 18 15 19 1 19 18 20 1 20 19 21 2 21 19 22 1 22 20 23 1 23 22 24 1 24 23 25 1 25 24 26 1 26 25 27 1 27 26 28 1 28 27 29 1 29 29 30 1 30 6 31 1 31 6 32 1 32 7 33 1 33 7 34 1 34 8 35 1 35 9 36 1 36 11 37 1 37 11 38 1 38 12 39 1 39 13 40 1 40 13 41 1 41 16 42 1 42 18 43 1 43 18 44 1 44 20 45 1 45 20 46 1 46 22 47 1 47 22 48 1 48 23 49 1 49 23 50 1 50 24 51 1 51 24 52 1 52 25 53 1 53 25 54 1 54 26 55 1 55 26 56 1 56 27 57 1 57 27 58 1 58 28 59 1 59 28 60 1 60 28 61 1 61 29 62 1 62 29 63 1 63 30 64 1 64 30 65 1 65 30 66 1 @SUBSTRUCTURE 1 noname 1