@MOLECULE DB04602 44 46 1 SMALL USER_CHARGES @ATOM 1 P1 6.3202 -5.1021 1.3453 P 1 noname 0.0149 2 O1 6.4514 -5.3058 2.7648 O.2 1 noname -0.1967 3 O2 5.3602 -3.9271 1.0819 O.3 1 noname -0.1526 4 O3 7.7009 -4.7818 0.7429 O.3 1 noname -0.1645 5 O4 5.7593 -6.3794 0.6930 O.3 1 noname -0.1645 6 C1 5.2309 -3.7261 -0.3179 C.3 1 noname 0.0904 7 C2 4.2772 -2.5588 -0.5796 C.3 1 noname 0.1022 8 O5 4.7896 -1.3919 0.0163 O.3 1 noname -0.3494 9 C3 4.1935 -2.2960 -2.0847 C.3 1 noname 0.0637 10 C4 4.1654 -0.3629 -0.7323 C.3 1 noname 0.1579 11 N1 2.8758 -2.6951 -2.5766 N.3 1 noname -0.3231 12 C5 4.3399 -0.7810 -2.1941 C.3 1 noname 0.1150 13 N2 4.6564 0.9195 -0.3336 N.3 1 noname 0.0261 14 O6 3.2705 -0.2567 -2.9673 O.3 1 noname -0.3868 15 C6 4.6029 1.3977 0.9299 C.2 1 noname 0.1249 16 C7 5.2871 1.8701 -1.0878 C.2 1 noname -0.0360 17 N3 4.0766 0.8769 2.0800 N.2 1 noname -0.2423 18 C8 5.2639 2.6342 0.8929 C.2 1 noname 0.0276 19 N4 5.6632 2.9220 -0.3408 N.2 1 noname -0.2168 20 C9 4.2191 1.5766 3.2543 C.2 1 noname 0.0509 21 C10 5.4123 3.3427 2.1007 C.2 1 noname 0.0750 22 N5 4.8864 2.7774 3.2258 N.2 1 noname -0.2547 23 N6 6.0441 4.5237 2.1435 N.3 1 noname -0.0874 24 C11 7.1543 4.4317 3.0079 C.3 1 noname -0.0073 25 C12 5.1592 5.5132 2.6186 C.3 1 noname -0.0073 26 H1 8.3327 -4.6353 1.4508 H 1 noname 0.2283 27 H2 5.4886 -6.9958 1.3774 H 1 noname 0.2283 28 H3 6.2232 -3.4353 -0.6628 H 1 noname 0.0605 29 H4 4.7656 -4.6346 -0.7003 H 1 noname 0.0605 30 H5 3.3043 -2.7433 -0.1239 H 1 noname 0.0646 31 H6 4.9112 -2.8592 -2.6813 H 1 noname 0.0519 32 H7 3.1144 -0.2287 -0.4762 H 1 noname 0.0852 33 H8 2.1671 -1.9958 -2.7465 H 1 noname 0.1188 34 H9 2.6741 -3.6700 -2.7465 H 1 noname 0.1188 35 H10 5.2302 -0.4143 -2.7050 H 1 noname 0.0663 36 H11 2.5870 0.0784 -2.3824 H 1 noname 0.2107 37 H12 5.4688 1.7977 -2.1601 H 1 noname 0.1016 38 H13 3.8119 1.1877 4.1876 H 1 noname 0.1062 39 H14 6.8125 4.4600 4.0426 H 1 noname 0.0398 40 H15 7.6808 3.4951 2.8247 H 1 noname 0.0398 41 H16 7.8277 5.2690 2.8247 H 1 noname 0.0398 42 H17 5.1620 5.5101 3.7086 H 1 noname 0.0398 43 H18 5.4791 6.4905 2.2573 H 1 noname 0.0398 44 H19 4.1523 5.3040 2.2573 H 1 noname 0.0398 @BOND 1 1 2 2 2 1 3 1 3 1 4 1 4 1 5 1 5 3 6 1 6 7 6 1 7 7 8 1 8 7 9 1 9 8 10 1 10 9 11 1 11 9 12 1 12 10 13 1 13 10 12 1 14 12 14 1 15 13 15 1 16 13 16 1 17 15 17 2 18 15 18 1 19 16 19 2 20 17 20 1 21 18 21 2 22 18 19 1 23 20 22 2 24 21 23 1 25 21 22 1 26 23 24 1 27 23 25 1 28 4 26 1 29 5 27 1 30 6 28 1 31 6 29 1 32 7 30 1 33 9 31 1 34 10 32 1 35 11 33 1 36 11 34 1 37 12 35 1 38 14 36 1 39 16 37 1 40 20 38 1 41 24 39 1 42 24 40 1 43 24 41 1 44 25 42 1 45 25 43 1 46 25 44 1 @SUBSTRUCTURE 1 noname 1