@MOLECULE DB04241 41 41 1 SMALL USER_CHARGES @ATOM 1 P1 -2.2109 -2.8124 -0.4910 P 1 noname 0.0155 2 O1 -3.0090 -3.1014 -1.6543 O.2 1 noname -0.1965 3 O2 -1.4874 -1.4670 -0.6863 O.3 1 noname -0.1511 4 O3 -1.1708 -3.9304 -0.2914 O.3 1 noname -0.1644 5 O4 -3.1210 -2.7306 0.7486 O.3 1 noname -0.1644 6 C1 -0.7004 -1.1820 0.4607 C.3 1 noname 0.0894 7 C2 -0.0144 0.0935 0.2756 C.2 1 noname -0.0044 8 C3 1.4196 0.1710 0.2961 C.2 1 noname 0.0076 9 C4 -0.7535 1.3060 0.0679 C.2 1 noname -0.0060 10 C5 2.1156 1.4133 0.1164 C.2 1 noname 0.0324 11 C6 2.1921 -1.0499 0.5059 C.3 1 noname 0.0246 12 N1 -0.0585 2.4937 -0.1032 N.2 1 noname -0.2528 13 O5 3.4643 1.4678 0.1386 O.3 1 noname -0.2763 14 C7 1.3294 2.5931 -0.0872 C.2 1 noname 0.0275 15 N2 3.0614 -1.2807 -0.6467 N.3 1 noname -0.2990 16 C8 1.9780 3.8874 -0.2762 C.3 1 noname 0.0427 17 C9 3.8350 -2.5033 -0.4367 C.3 1 noname 0.0995 18 C10 4.7032 -2.7337 -1.5877 C.2 1 noname 0.1452 19 C11 2.8813 -3.6883 -0.2719 C.3 1 noname -0.0374 20 C12 4.6886 -2.3564 0.8246 C.3 1 noname -0.0374 21 O6 5.4548 -3.7322 -1.6137 O.2 1 noname -0.2486 22 O7 4.6942 -1.8684 -2.6239 O.3 1 noname -0.2132 23 H1 -1.0346 -4.0768 0.6476 H 1 noname 0.2283 24 H2 -3.3386 -3.6174 1.0449 H 1 noname 0.2283 25 H3 -1.3993 -1.0562 1.2877 H 1 noname 0.0629 26 H4 0.0648 -1.9569 0.5070 H 1 noname 0.0629 27 H5 -1.8430 1.3249 0.0401 H 1 noname 0.0843 28 H6 2.8437 -0.8666 1.3603 H 1 noname 0.0480 29 H7 1.4780 -1.8731 0.5317 H 1 noname 0.0480 30 H8 3.7692 1.4801 1.0488 H 1 noname 0.2182 31 H9 3.1187 -0.6872 -1.4620 H 1 noname 0.1236 32 H10 2.1989 4.3284 0.6958 H 1 noname 0.0296 33 H11 2.9053 3.7514 -0.8327 H 1 noname 0.0296 34 H12 1.3139 4.5487 -0.8327 H 1 noname 0.0296 35 H13 2.7242 -3.8835 0.7890 H 1 noname 0.0254 36 H14 1.9268 -3.4548 -0.7436 H 1 noname 0.0254 37 H15 3.3135 -4.5708 -0.7436 H 1 noname 0.0254 38 H16 4.9466 -3.3444 1.2059 H 1 noname 0.0254 39 H17 5.6007 -1.8100 0.5845 H 1 noname 0.0254 40 H18 4.1265 -1.8100 1.5821 H 1 noname 0.0254 41 H19 4.6870 -2.3581 -3.4496 H 1 noname 0.2213 @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 2 8 7 9 1 9 8 10 1 10 8 11 1 11 9 12 2 12 10 13 1 13 10 14 2 14 11 15 1 15 12 14 1 16 14 16 1 17 15 17 1 18 17 18 1 19 17 19 1 20 17 20 1 21 18 21 2 22 18 22 1 23 4 23 1 24 5 24 1 25 6 25 1 26 6 26 1 27 9 27 1 28 11 28 1 29 11 29 1 30 13 30 1 31 15 31 1 32 16 32 1 33 16 33 1 34 16 34 1 35 19 35 1 36 19 36 1 37 19 37 1 38 20 38 1 39 20 39 1 40 20 40 1 41 22 41 1 @SUBSTRUCTURE 1 noname 1