@MOLECULE DB07428 32 33 1 SMALL USER_CHARGES @ATOM 1 O1 -0.7426 -1.1943 -0.3070 O.3 1 noname -0.2704 2 C1 0.1974 -0.2407 -0.4706 C.2 1 noname 0.0019 3 C2 -1.9584 -0.5769 0.1485 C.3 1 noname 0.0786 4 C3 1.0623 0.0739 0.6358 C.2 1 noname -0.0397 5 C4 0.3247 0.4005 -1.7530 C.2 1 noname -0.0039 6 C5 -2.9689 -1.6005 0.3192 C.2 1 noname -0.0232 7 C6 2.0611 1.0808 0.4613 C.2 1 noname -0.0482 8 C7 0.9220 -0.6222 1.9114 C.3 1 noname 0.0070 9 C8 1.3258 1.4066 -1.9204 C.2 1 noname -0.0017 10 C9 -3.5381 -1.7796 1.6242 C.2 1 noname -0.0147 11 C10 -3.3658 -2.3818 -0.8191 C.2 1 noname -0.0147 12 C11 2.1810 1.7325 -0.8132 C.2 1 noname -0.0439 13 O2 1.4658 2.0421 -3.1032 O.3 1 noname -0.2771 14 C12 -4.5359 -2.7837 1.7698 C.2 1 noname 0.0003 15 C13 -4.3630 -3.3732 -0.6188 C.2 1 noname 0.0003 16 C14 0.6427 3.1991 -3.1192 C.3 1 noname 0.0423 17 N1 -4.8960 -3.5244 0.6523 N.2 1 noname -0.2535 18 H1 -1.7511 -0.1651 1.1362 H 1 noname 0.0623 19 H2 -2.2989 0.0771 -0.6543 H 1 noname 0.0623 20 H3 -0.3264 0.1287 -2.5838 H 1 noname 0.0677 21 H4 2.7208 1.3474 1.2870 H 1 noname 0.0627 22 H5 0.9406 -1.6988 1.7419 H 1 noname 0.0280 23 H6 1.7449 -0.3438 2.5697 H 1 noname 0.0280 24 H7 -0.0244 -0.3438 2.3751 H 1 noname 0.0280 25 H8 -3.2238 -1.1745 2.4745 H 1 noname 0.0642 26 H9 -2.9243 -2.2272 -1.8036 H 1 noname 0.0642 27 H10 2.9452 2.4986 -0.9443 H 1 noname 0.0650 28 H11 -5.0189 -2.9832 2.7263 H 1 noname 0.0839 29 H12 -4.7148 -4.0101 -1.4304 H 1 noname 0.0839 30 H13 0.4254 3.5046 -2.0957 H 1 noname 0.0535 31 H14 1.1607 4.0063 -3.6371 H 1 noname 0.0535 32 H15 -0.2897 2.9746 -3.6371 H 1 noname 0.0535 @BOND 1 1 2 1 2 1 3 1 3 2 4 2 4 2 5 1 5 3 6 1 6 4 7 1 7 4 8 1 8 5 9 2 9 6 10 2 10 6 11 1 11 7 12 2 12 9 13 1 13 9 12 1 14 10 14 1 15 11 15 2 16 13 16 1 17 14 17 2 18 15 17 1 19 3 18 1 20 3 19 1 21 5 20 1 22 7 21 1 23 8 22 1 24 8 23 1 25 8 24 1 26 10 25 1 27 11 26 1 28 12 27 1 29 14 28 1 30 15 29 1 31 16 30 1 32 16 31 1 33 16 32 1 @SUBSTRUCTURE 1 noname 1