@MOLECULE DB02337 32 31 1 SMALL USER_CHARGES @ATOM 1 S1 1.5829 -0.3464 -0.0537 S.3 1 noname -0.1618 2 C1 2.3880 -1.9555 -0.1066 C.3 1 noname -0.0047 3 C2 -0.1975 -0.5610 -0.2093 C.3 1 noname -0.0067 4 C3 3.9013 -1.7731 0.0257 C.3 1 noname -0.0192 5 C4 -0.8819 0.8067 -0.1644 C.3 1 noname -0.0436 6 C5 4.5857 -3.1408 -0.0192 C.3 1 noname 0.0920 7 C6 -2.3952 0.6243 -0.2967 C.3 1 noname -0.0432 8 N1 6.0317 -2.9665 0.1072 N.3 1 noname -0.3194 9 C7 4.2835 -3.7947 -1.2891 C.2 1 noname 0.1437 10 C8 -3.0796 1.9920 -0.2517 C.3 1 noname 0.0335 11 O1 3.6904 -4.8950 -1.2999 O.2 1 noname -0.2496 12 O2 4.6445 -3.2110 -2.4517 O.3 1 noname -0.2140 13 C9 -4.5236 1.8180 -0.3780 C.2 1 noname 0.1348 14 O3 -5.2769 2.8155 -0.3652 O.2 1 noname -0.2559 15 O4 -5.0455 0.5798 -0.5085 O.3 1 noname -0.2189 16 H1 2.1147 -2.5278 0.7799 H 1 noname 0.0381 17 H2 2.2624 -2.3922 -1.0973 H 1 noname 0.0381 18 H3 -0.4323 -0.9388 -1.2044 H 1 noname 0.0380 19 H4 -0.5801 -1.0744 0.6728 H 1 noname 0.0380 20 H5 4.2309 -1.2271 -0.8583 H 1 noname 0.0296 21 H6 4.0832 -1.3627 1.0190 H 1 noname 0.0296 22 H7 -0.7000 1.2171 0.8289 H 1 noname 0.0275 23 H8 -0.5523 1.3527 -1.0484 H 1 noname 0.0275 24 H9 4.2485 -3.7924 0.7869 H 1 noname 0.0571 25 H10 -2.5771 0.2140 -1.2900 H 1 noname 0.0272 26 H11 -2.7248 0.0784 0.5873 H 1 noname 0.0272 27 H12 6.6359 -3.7747 0.1508 H 1 noname 0.1191 28 H13 6.4266 -2.0379 0.1508 H 1 noname 0.1191 29 H14 -2.9137 2.4107 0.7409 H 1 noname 0.0372 30 H15 -2.7660 2.5463 -1.1364 H 1 noname 0.0372 31 H16 4.8461 -3.8888 -3.1009 H 1 noname 0.2213 32 H17 -5.2031 0.2056 0.3614 H 1 noname 0.2213 @BOND 1 1 2 1 2 1 3 1 3 2 4 1 4 3 5 1 5 4 6 1 6 5 7 1 7 6 8 1 8 6 9 1 9 7 10 1 10 9 11 2 11 9 12 1 12 10 13 1 13 13 14 2 14 13 15 1 15 2 16 1 16 2 17 1 17 3 18 1 18 3 19 1 19 4 20 1 20 4 21 1 21 5 22 1 22 5 23 1 23 6 24 1 24 7 25 1 25 7 26 1 26 8 27 1 27 8 28 1 28 10 29 1 29 10 30 1 30 12 31 1 31 15 32 1 @SUBSTRUCTURE 1 noname 1