@MOLECULE DB01320 40 42 1 SMALL USER_CHARGES @ATOM 1 P1 -5.0851 1.1534 2.7219 P 1 noname 0.0186 2 O1 -4.9995 1.4316 4.1322 O.2 1 noname -0.1958 3 O2 -3.8278 0.3859 2.2728 O.3 1 noname -0.1428 4 O3 -5.1838 2.4779 1.9425 O.3 1 noname -0.1640 5 O4 -6.3354 0.2988 2.4423 O.3 1 noname -0.1640 6 C1 -3.9122 0.1116 0.8821 C.3 1 noname 0.1301 7 N1 -2.7610 -0.5911 0.4709 N.3 1 noname 0.1013 8 C2 -2.2889 -1.8947 0.9567 C.2 1 noname 0.0160 9 C3 -1.7834 -0.1819 -0.5265 C.2 1 noname 0.1120 10 O5 -2.9704 -2.7237 1.5976 O.2 1 noname -0.2820 11 N2 -0.8845 -2.0625 0.5648 N.3 1 noname -0.0490 12 O6 -1.9467 0.4380 -1.5996 O.2 1 noname -0.2740 13 C4 -0.5009 -0.7224 0.1058 C.3 1 noname 0.1517 14 C5 0.5935 -0.6485 -0.8775 C.2 1 noname -0.0402 15 C6 -0.2913 0.1763 1.2371 C.2 1 noname -0.0402 16 C7 1.3304 0.5793 -0.9039 C.2 1 noname -0.0476 17 C8 0.8399 -1.7059 -1.8276 C.2 1 noname -0.0476 18 C9 0.3451 -0.2858 2.3832 C.2 1 noname -0.0476 19 C10 -0.7280 1.4941 1.1680 C.2 1 noname -0.0476 20 C11 2.3405 0.7689 -1.8932 C.2 1 noname -0.0580 21 C12 1.8493 -1.5308 -2.8144 C.2 1 noname -0.0580 22 C13 0.5447 0.5698 3.4603 C.2 1 noname -0.0580 23 C14 -0.5284 2.3498 2.2451 C.2 1 noname -0.0580 24 C15 2.5799 -0.2953 -2.8204 C.2 1 noname -0.0610 25 C16 0.1080 1.8876 3.3912 C.2 1 noname -0.0610 26 H1 -5.2384 3.2099 2.5611 H 1 noname 0.2283 27 H2 -6.7308 0.0284 3.2742 H 1 noname 0.2283 28 H3 -4.7566 -0.5635 0.7430 H 1 noname 0.0761 29 H4 -3.8921 1.0724 0.3678 H 1 noname 0.0761 30 H5 -0.3187 -2.8983 0.6020 H 1 noname 0.1342 31 H6 1.1240 1.3640 -0.1761 H 1 noname 0.0626 32 H7 0.2663 -2.6324 -1.7999 H 1 noname 0.0626 33 H8 0.6876 -1.3192 2.4373 H 1 noname 0.0626 34 H9 -1.2270 1.8565 0.2693 H 1 noname 0.0626 35 H10 2.9107 1.6967 -1.9390 H 1 noname 0.0622 36 H11 2.0559 -2.3165 -3.5411 H 1 noname 0.0622 37 H12 1.0437 0.2074 4.3590 H 1 noname 0.0622 38 H13 -0.8709 3.3832 2.1910 H 1 noname 0.0622 39 H14 3.3591 -0.1577 -3.5700 H 1 noname 0.0622 40 H15 0.2645 2.5586 4.2358 H 1 noname 0.0622 @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 7 9 1 9 8 10 2 10 8 11 1 11 9 12 2 12 9 13 1 13 11 13 1 14 13 14 1 15 13 15 1 16 14 16 2 17 14 17 1 18 15 18 2 19 15 19 1 20 16 20 1 21 17 21 2 22 18 22 1 23 19 23 2 24 20 24 2 25 21 24 1 26 22 25 2 27 23 25 1 28 4 26 1 29 5 27 1 30 6 28 1 31 6 29 1 32 11 30 1 33 16 31 1 34 17 32 1 35 18 33 1 36 19 34 1 37 20 35 1 38 21 36 1 39 22 37 1 40 23 38 1 41 24 39 1 42 25 40 1 @SUBSTRUCTURE 1 noname 1