@MOLECULE DB04321 31 30 1 SMALL USER_CHARGES @ATOM 1 P1 2.1978 -1.0487 -0.6170 P 1 noname 0.0190 2 O1 3.1264 -1.9980 -0.0599 O.2 1 noname -0.2293 3 O2 0.8982 -1.7738 -1.0131 O.3 1 noname -0.1836 4 O3 2.8202 -0.3928 -1.8636 O.3 1 noname -0.1937 5 C1 1.8595 0.1130 0.5048 C.3 1 noname 0.0551 6 C2 1.1894 -2.7735 -1.9786 C.3 1 noname 0.0574 7 C3 0.8729 1.1216 -0.0871 C.3 1 noname -0.0402 8 C4 -0.1018 -3.4939 -2.3722 C.3 1 noname -0.0406 9 C5 0.5592 2.1988 0.9531 C.3 1 noname -0.0525 10 C6 -0.4274 3.2074 0.3613 C.3 1 noname -0.0535 11 C7 -0.7411 4.2846 1.4015 C.3 1 noname -0.0561 12 C8 -1.7276 5.2932 0.8096 C.3 1 noname -0.0654 13 H1 3.1217 -1.0754 -2.4675 H 1 noname 0.2259 14 H2 1.3302 -0.3600 1.3320 H 1 noname 0.0417 15 H3 2.7731 0.6767 0.6936 H 1 noname 0.0417 16 H4 1.5559 -2.2356 -2.8529 H 1 noname 0.0573 17 H5 1.8342 -3.4901 -1.4698 H 1 noname 0.0573 18 H6 1.3868 1.6188 -0.9098 H 1 noname 0.0275 19 H7 -0.0561 0.5820 -0.2713 H 1 noname 0.0275 20 H8 -0.6393 -3.7937 -1.4726 H 1 noname 0.0254 21 H9 -0.7266 -2.8233 -2.9622 H 1 noname 0.0254 22 H10 0.1406 -4.3777 -2.9622 H 1 noname 0.0254 23 H11 0.0454 1.7016 1.7758 H 1 noname 0.0267 24 H12 1.4882 2.7383 1.1374 H 1 noname 0.0267 25 H13 0.0865 3.7046 -0.4615 H 1 noname 0.0266 26 H14 -1.3564 2.6679 0.1770 H 1 noname 0.0266 27 H15 -1.2549 3.7874 2.2242 H 1 noname 0.0264 28 H16 0.1879 4.8242 1.5857 H 1 noname 0.0264 29 H17 -2.2399 5.8169 1.6167 H 1 noname 0.0230 30 H18 -1.1867 6.0130 0.1952 H 1 noname 0.0230 31 H19 -2.4591 4.7683 0.1952 H 1 noname 0.0230 @BOND 1 1 2 2 2 1 3 1 3 1 4 1 4 1 5 1 5 3 6 1 6 5 7 1 7 6 8 1 8 7 9 1 9 9 10 1 10 10 11 1 11 11 12 1 12 4 13 1 13 5 14 1 14 5 15 1 15 6 16 1 16 6 17 1 17 7 18 1 18 7 19 1 19 8 20 1 20 8 21 1 21 8 22 1 22 9 23 1 23 9 24 1 24 10 25 1 25 10 26 1 26 11 27 1 27 11 28 1 28 12 29 1 29 12 30 1 30 12 31 1 @SUBSTRUCTURE 1 noname 1