@MOLECULE DB02142 29 29 1 SMALL USER_CHARGES @ATOM 1 P1 -0.3901 -0.9847 -3.7735 P 1 noname 0.0155 2 O1 -0.3212 -0.2326 -4.9996 O.2 1 noname -0.1965 3 O2 -0.0910 -0.0546 -2.5832 O.3 1 noname -0.1511 4 O3 0.6479 -2.1218 -3.8099 O.3 1 noname -0.1644 5 O4 -1.8007 -1.5822 -3.6164 O.3 1 noname -0.1644 6 C1 -0.1588 -0.7963 -1.3742 C.3 1 noname 0.0894 7 C2 0.1247 0.0856 -0.2457 C.2 1 noname -0.0045 8 C3 1.2332 -0.1697 0.6312 C.2 1 noname 0.0075 9 C4 -0.6962 1.2325 0.0196 C.2 1 noname -0.0060 10 C5 1.5312 0.6830 1.7465 C.2 1 noname 0.0324 11 C6 2.0819 -1.3309 0.3805 C.3 1 noname 0.0209 12 N1 -0.3880 2.0412 1.1031 N.2 1 noname -0.2528 13 O5 2.5775 0.4280 2.5607 O.3 1 noname -0.2763 14 C7 0.6800 1.8138 1.9657 C.2 1 noname 0.0275 15 N2 3.1788 -0.9501 -0.5080 N.3 1 noname -0.3264 16 C8 0.9305 2.7193 3.0833 C.3 1 noname 0.0427 17 H1 0.8780 -2.3739 -2.9127 H 1 noname 0.2283 18 H2 -2.0088 -1.6703 -2.6833 H 1 noname 0.2283 19 H3 -1.1931 -1.1258 -1.2752 H 1 noname 0.0629 20 H4 0.6451 -1.5309 -1.4205 H 1 noname 0.0629 21 H5 -1.5539 1.4895 -0.6020 H 1 noname 0.0843 22 H6 2.5305 -1.6043 1.3356 H 1 noname 0.0477 23 H7 1.4731 -2.0538 -0.1625 H 1 noname 0.0477 24 H8 2.2951 0.4968 3.4756 H 1 noname 0.2182 25 H9 3.8445 -1.6449 -0.8149 H 1 noname 0.1187 26 H10 3.2708 0.0077 -0.8149 H 1 noname 0.1187 27 H11 1.1322 2.1384 3.9833 H 1 noname 0.0296 28 H12 1.7916 3.3477 2.8559 H 1 noname 0.0296 29 H13 0.0547 3.3477 3.2451 H 1 noname 0.0296 @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 4 17 1 18 5 18 1 19 6 19 1 20 6 20 1 21 9 21 1 22 11 22 1 23 11 23 1 24 13 24 1 25 15 25 1 26 15 26 1 27 16 27 1 28 16 28 1 29 16 29 1 @SUBSTRUCTURE 1 noname 1