@MOLECULE DB02135 53 54 1 SMALL USER_CHARGES @ATOM 1 P1 -5.9439 -2.2351 -3.3912 P 1 noname 0.0142 2 O1 -6.9993 -2.8211 -4.1764 O.2 1 noname -0.1968 3 O2 -6.5404 -1.1963 -2.4233 O.3 1 noname -0.1545 4 O3 -4.9320 -1.5452 -4.3248 O.3 1 noname -0.1646 5 O4 -5.2308 -3.3371 -2.5858 O.3 1 noname -0.1646 6 C1 -5.5010 -0.6192 -1.6500 C.3 1 noname 0.0625 7 C2 -6.0936 0.4119 -0.6894 C.3 1 noname -0.0273 8 C3 -4.9505 1.0258 0.1322 C.3 1 noname -0.0372 9 C4 -5.5654 2.0629 1.0946 C.3 1 noname 0.0125 10 N1 -4.6878 2.7592 1.9859 N.3 1 noname -0.0904 11 C5 -3.9563 3.8594 1.6794 C.2 1 noname 0.1387 12 C6 -4.2878 2.3514 3.2047 C.2 1 noname 0.0753 13 O5 -3.9383 4.4152 0.5533 O.2 1 noname -0.2493 14 N2 -3.1297 4.1827 2.7113 N.3 1 noname -0.0783 15 C7 -4.5034 1.1701 3.9353 C.2 1 noname 0.1110 16 C8 -3.3608 3.2768 3.6865 C.2 1 noname 0.0944 17 C9 -2.0625 5.1523 2.7006 C.3 1 noname 0.0424 18 O6 -5.3951 0.2299 3.5514 O.3 1 noname -0.2412 19 N3 -3.6998 0.9155 4.9960 N.2 1 noname -0.1669 20 N4 -2.7013 3.0564 4.8602 N.2 1 noname -0.1815 21 C10 -0.7667 4.6910 1.9525 C.3 1 noname 0.0963 22 C11 -2.8133 1.8357 5.4541 C.2 1 noname 0.1284 23 O7 0.1053 5.8187 1.8926 O.3 1 noname -0.3888 24 C12 0.0768 3.5258 2.5569 C.3 1 noname 0.1093 25 O8 -1.9837 1.4777 6.4479 O.3 1 noname -0.2168 26 O9 1.3585 3.3883 1.9520 O.3 1 noname -0.3875 27 C13 -0.2696 2.0748 2.2345 C.3 1 noname 0.1056 28 O10 -1.5600 1.5930 2.3848 O.3 1 noname -0.3878 29 C14 0.7091 1.1448 2.9544 C.3 1 noname 0.0718 30 O11 0.3868 -0.2053 2.6545 O.3 1 noname -0.3934 31 H1 -4.2683 -1.0928 -3.7989 H 1 noname 0.2283 32 H2 -5.3398 -3.1687 -1.6470 H 1 noname 0.2283 33 H3 -5.0912 -1.4369 -1.0571 H 1 noname 0.0576 34 H4 -4.8669 -0.0917 -2.3626 H 1 noname 0.0576 35 H5 -6.5128 1.2108 -1.3011 H 1 noname 0.0291 36 H6 -6.7311 -0.1331 0.0068 H 1 noname 0.0291 37 H7 -4.5316 0.2269 0.7439 H 1 noname 0.0281 38 H8 -4.3130 1.5705 -0.5642 H 1 noname 0.0281 39 H9 -5.9729 2.8590 0.4714 H 1 noname 0.0440 40 H10 -6.2194 1.5093 1.7683 H 1 noname 0.0440 41 H11 -2.4752 5.9929 2.1429 H 1 noname 0.0468 42 H12 -1.8030 5.2709 3.7526 H 1 noname 0.0468 43 H13 -5.7831 -0.1793 4.3283 H 1 noname 0.2199 44 H14 -1.0880 4.3664 0.9628 H 1 noname 0.0642 45 H15 0.3241 6.1017 2.7835 H 1 noname 0.2106 46 H16 0.0139 3.8157 3.6058 H 1 noname 0.0656 47 H17 -1.9407 0.5201 6.4995 H 1 noname 0.2215 48 H18 2.0288 3.3164 2.6354 H 1 noname 0.2106 49 H19 -0.3013 2.0388 1.1456 H 1 noname 0.0652 50 H20 -1.7660 1.5161 3.3193 H 1 noname 0.2106 51 H21 1.7012 1.3074 2.5333 H 1 noname 0.0591 52 H22 0.5483 1.2506 4.0273 H 1 noname 0.0591 53 H23 0.2698 -0.6955 3.4716 H 1 noname 0.2101 @BOND 1 1 2 2 2 1 3 1 3 1 4 1 4 1 5 1 5 3 6 1 6 6 7 1 7 7 8 1 8 8 9 1 9 9 10 1 10 10 11 1 11 10 12 1 12 11 13 2 13 11 14 1 14 12 15 2 15 12 16 1 16 14 17 1 17 14 16 1 18 15 18 1 19 15 19 1 20 16 20 2 21 17 21 1 22 19 22 2 23 20 22 1 24 21 23 1 25 21 24 1 26 22 25 1 27 24 26 1 28 24 27 1 29 27 28 1 30 27 29 1 31 29 30 1 32 4 31 1 33 5 32 1 34 6 33 1 35 6 34 1 36 7 35 1 37 7 36 1 38 8 37 1 39 8 38 1 40 9 39 1 41 9 40 1 42 17 41 1 43 17 42 1 44 18 43 1 45 21 44 1 46 23 45 1 47 24 46 1 48 25 47 1 49 26 48 1 50 27 49 1 51 28 50 1 52 29 51 1 53 29 52 1 54 30 53 1 @SUBSTRUCTURE 1 noname 1