@MOLECULE DB01859 63 64 1 SMALL USER_CHARGES @ATOM 1 P1 -2.6089 -5.3281 -5.2630 P 1 noname 0.0671 2 O1 -3.0182 -4.0650 -5.8561 O.2 1 noname -0.1856 3 O2 -1.0255 -5.5126 -5.0857 O.3 1 noname -0.0270 4 O3 -3.1208 -6.4797 -6.2179 O.3 1 noname -0.1456 5 O4 -3.3776 -5.5562 -3.8753 O.3 1 noname -0.1575 6 P2 -0.1636 -4.3653 -4.4038 P 1 noname 0.0671 7 C1 -2.7847 -7.7352 -5.6096 C.3 1 noname 0.0915 8 O5 1.2273 -4.5799 -4.8509 O.2 1 noname -0.1856 9 O6 -0.1234 -4.3860 -2.7982 O.3 1 noname -0.1456 10 O7 -0.5908 -2.9598 -4.9626 O.3 1 noname -0.1575 11 C2 -3.4985 -8.8440 -6.3412 C.3 1 noname 0.1127 12 C3 -1.2952 -4.8121 -2.0964 C.3 1 noname 0.0914 13 O8 -3.1058 -8.7403 -7.6992 O.3 1 noname -0.3509 14 C4 -3.0649 -10.2122 -5.8206 C.3 1 noname 0.1124 15 C5 -1.0366 -4.7541 -0.5895 C.3 1 noname 0.1103 16 C6 -3.4438 -10.0214 -8.1786 C.3 1 noname 0.1503 17 O9 -4.0285 -10.7080 -4.8926 O.3 1 noname -0.3873 18 C7 -2.9384 -11.0229 -7.1169 C.3 1 noname 0.1230 19 O10 -2.1996 -5.1770 0.1069 O.3 1 noname -0.3874 20 C8 0.1325 -5.6759 -0.2369 C.3 1 noname 0.1321 21 N1 -3.0638 -10.1140 -9.5549 N.3 1 noname 0.0201 22 O11 -3.7360 -12.1987 -7.1532 O.3 1 noname -0.3860 23 O12 0.3725 -5.6221 1.1617 O.3 1 noname -0.1465 24 C9 -0.2101 -7.1114 -0.6406 C.3 1 noname 0.0757 25 C10 1.3855 -5.2203 -0.9873 C.3 1 noname -0.0298 26 C11 -4.0026 -9.7495 -10.5031 C.2 1 noname -0.0062 27 C12 -1.7924 -10.5039 -9.9416 C.2 1 noname -0.0556 28 P3 0.7173 -4.1773 1.5681 P 1 noname 0.0172 29 O13 0.8749 -7.9669 -0.3133 O.3 1 noname -0.3931 30 O14 -5.2569 -9.3074 -10.2179 O.3 1 noname -0.2484 31 N2 -3.6653 -9.8197 -11.8207 N.2 1 noname -0.1753 32 C13 -1.4554 -10.5774 -11.3072 C.2 1 noname 0.0177 33 O15 0.9607 -4.1227 2.9863 O.2 1 noname -0.1961 34 O16 -0.4595 -3.2494 1.2131 O.3 1 noname -0.1642 35 O17 1.9785 -3.7187 0.8128 O.3 1 noname -0.1642 36 C14 -2.4526 -10.2261 -12.1998 C.2 1 noname 0.0498 37 N3 -2.1940 -10.2872 -13.4538 N.2 1 noname -0.2366 38 H1 -3.4687 -6.4976 -3.7109 H 1 noname 0.2283 39 H2 -1.7146 -7.8689 -5.7676 H 1 noname 0.0605 40 H3 -3.1852 -7.6950 -4.5966 H 1 noname 0.0605 41 H4 -0.7714 -2.3658 -4.2304 H 1 noname 0.2283 42 H5 -4.5804 -8.7346 -6.2670 H 1 noname 0.0657 43 H6 -2.0631 -4.0757 -2.3335 H 1 noname 0.0605 44 H7 -1.4385 -5.8569 -2.3721 H 1 noname 0.0605 45 H8 -2.1725 -10.2554 -5.1961 H 1 noname 0.0657 46 H9 -0.8528 -3.7328 -0.2562 H 1 noname 0.0656 47 H10 -4.5118 -10.1847 -8.3226 H 1 noname 0.0816 48 H11 -3.7212 -10.5499 -3.9970 H 1 noname 0.2106 49 H12 -1.9505 -11.4626 -7.2541 H 1 noname 0.0671 50 H13 -2.0445 -5.1206 1.0526 H 1 noname 0.2106 51 H14 -3.9285 -12.4826 -6.2566 H 1 noname 0.2107 52 H15 -1.0420 -7.4469 -0.0214 H 1 noname 0.0595 53 H16 -0.2906 -7.1465 -1.7271 H 1 noname 0.0595 54 H17 2.1568 -4.9399 -0.2699 H 1 noname 0.0262 55 H18 1.7504 -6.0346 -1.6133 H 1 noname 0.0262 56 H19 1.1421 -4.3618 -1.6133 H 1 noname 0.0262 57 H20 -1.0596 -10.7521 -9.1738 H 1 noname 0.0758 58 H21 0.9556 -8.0305 0.6412 H 1 noname 0.2101 59 H22 -5.3730 -9.2665 -9.2659 H 1 noname 0.2209 60 H23 -0.4713 -10.8907 -11.6559 H 1 noname 0.0672 61 H24 -0.8678 -2.9275 2.0201 H 1 noname 0.2283 62 H25 2.6578 -3.4717 1.4446 H 1 noname 0.2283 63 H26 -2.1352 -11.2544 -13.7387 H 1 noname 0.1893 @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 2 8 6 9 1 9 6 10 1 10 11 7 1 11 9 12 1 12 11 13 1 13 11 14 1 14 12 15 1 15 13 16 1 16 14 17 1 17 14 18 1 18 15 19 1 19 20 15 1 20 16 21 1 21 16 18 1 22 18 22 1 23 20 23 1 24 20 24 1 25 20 25 1 26 21 26 1 27 21 27 1 28 23 28 1 29 24 29 1 30 26 30 1 31 26 31 2 32 27 32 2 33 28 33 2 34 28 34 1 35 28 35 1 36 31 36 1 37 32 36 1 38 36 37 2 39 5 38 1 40 7 39 1 41 7 40 1 42 10 41 1 43 11 42 1 44 12 43 1 45 12 44 1 46 14 45 1 47 15 46 1 48 16 47 1 49 17 48 1 50 18 49 1 51 19 50 1 52 22 51 1 53 24 52 1 54 24 53 1 55 25 54 1 56 25 55 1 57 25 56 1 58 27 57 1 59 29 58 1 60 30 59 1 61 32 60 1 62 34 61 1 63 35 62 1 64 37 63 1 @SUBSTRUCTURE 1 noname 1