@MOLECULE DB02965 32 31 1 SMALL USER_CHARGES @ATOM 1 S1 4.2038 -0.3194 0.0990 S 1 noname -0.0258 2 O1 5.2103 -0.5832 -1.1033 O.2 1 noname -0.1556 3 O2 5.0253 0.0857 1.3987 O.2 1 noname -0.1556 4 O3 3.1489 0.9346 -0.3143 O.3 1 noname -0.1371 5 N1 3.2938 -1.7585 0.4164 N.3 1 noname 0.1436 6 P1 1.9510 -1.3795 1.1621 P 1 noname -0.1712 7 O4 1.1750 -0.4939 0.3330 O.2 1 noname -0.2842 8 N2 2.2918 -0.6590 2.5286 N.3 1 noname -0.0581 9 N3 1.1197 -2.6939 1.4520 N.3 1 noname -0.0669 10 C1 1.0509 -0.3087 3.2176 C.3 1 noname 0.0068 11 C2 1.3806 0.3881 4.5392 C.3 1 noname -0.0379 12 C3 0.0819 0.7547 5.2604 C.3 1 noname -0.0271 13 C4 0.4116 1.4515 6.5820 C.3 1 noname 0.0913 14 N4 -0.8294 1.8017 7.2710 N.3 1 noname -0.3194 15 C5 1.1787 2.6645 6.3144 C.2 1 noname 0.1437 16 O5 2.3269 2.7957 6.7908 O.2 1 noname -0.2496 17 O6 0.6480 3.6445 5.5525 O.3 1 noname -0.2140 18 H1 2.8067 1.3414 0.4851 H 1 noname 0.2398 19 H2 3.5217 -2.7162 0.1908 H 1 noname 0.1605 20 H3 3.1995 -0.4465 2.9173 H 1 noname 0.1357 21 H4 0.1151 -2.6460 1.5445 H 1 noname 0.1319 22 H5 1.5936 -3.5810 1.5445 H 1 noname 0.1319 23 H6 0.5479 0.4178 2.5794 H 1 noname 0.0436 24 H7 0.5634 -1.2538 3.4569 H 1 noname 0.0436 25 H8 1.8906 -0.3457 5.1632 H 1 noname 0.0280 26 H9 1.8752 1.3258 4.2857 H 1 noname 0.0280 27 H10 -0.4282 1.4885 4.6364 H 1 noname 0.0288 28 H11 -0.4127 -0.1830 5.5139 H 1 noname 0.0288 29 H12 1.0012 0.8157 7.2424 H 1 noname 0.0571 30 H13 -1.0204 2.7645 7.5090 H 1 noname 0.1191 31 H14 -1.4956 1.0809 7.5090 H 1 noname 0.1191 32 H15 0.2790 4.3260 6.1191 H 1 noname 0.2213 @BOND 1 1 2 2 2 1 3 2 3 1 4 1 4 1 5 1 5 5 6 1 6 6 7 2 7 6 8 1 8 6 9 1 9 8 10 1 10 10 11 1 11 11 12 1 12 12 13 1 13 13 14 1 14 13 15 1 15 15 16 2 16 15 17 1 17 4 18 1 18 5 19 1 19 8 20 1 20 9 21 1 21 9 22 1 22 10 23 1 23 10 24 1 24 11 25 1 25 11 26 1 26 12 27 1 27 12 28 1 28 13 29 1 29 14 30 1 30 14 31 1 31 17 32 1 @SUBSTRUCTURE 1 noname 1