@MOLECULE 71586965 33 34 1 SMALL USER_CHARGES @ATOM 1 O1 -0.2182 -0.6630 1.5233 O.3 1 noname -0.3870 2 O2 3.4054 1.8895 -0.9801 O.3 1 noname -0.2759 3 O3 3.7596 0.4202 -3.2856 O.3 1 noname -0.2762 4 N1 -2.8471 -0.5126 0.5940 N.3 1 noname -0.3110 5 C1 -4.0070 0.2414 0.1394 C.3 1 noname 0.0069 6 C2 -5.1604 0.0852 1.1212 C.3 1 noname -0.0377 7 C3 -3.9837 1.7548 0.4368 C.3 1 noname -0.0377 8 C4 -5.0888 1.5756 1.4758 C.3 1 noname -0.0503 9 C5 -1.7470 -0.2024 -0.3102 C.3 1 noname 0.0258 10 C6 -0.4982 -0.9486 0.1401 C.3 1 noname 0.0916 11 C7 0.6149 -0.5729 -0.7681 C.2 1 noname -0.0457 12 C8 1.4798 0.5288 -0.4206 C.2 1 noname -0.0120 13 C9 0.8093 -1.3279 -1.9867 C.2 1 noname -0.0521 14 C10 2.5679 0.8741 -1.2802 C.2 1 noname 0.0254 15 C11 1.8874 -0.9858 -2.8555 C.2 1 noname -0.0209 16 C12 2.7331 0.1021 -2.4685 C.2 1 noname 0.0226 17 H1 -4.3068 0.0031 -0.8812 H 1 noname 0.0464 18 H2 -6.0807 -0.1138 0.5721 H 1 noname 0.0282 19 H3 -4.9107 -0.5596 1.9638 H 1 noname 0.0282 20 H4 -4.3768 2.2998 -0.4214 H 1 noname 0.0282 21 H5 -3.0887 2.0961 0.9569 H 1 noname 0.0282 22 H6 -5.9949 2.0747 1.1322 H 1 noname 0.0268 23 H7 -4.7469 1.7541 2.4952 H 1 noname 0.0268 24 H8 -3.0523 -1.5128 0.5502 H 1 noname 0.1226 25 H9 -2.0100 -0.5115 -1.3218 H 1 noname 0.0458 26 H10 -1.5647 0.8720 -0.2864 H 1 noname 0.0458 27 H11 -0.7396 -2.0197 0.0742 H 1 noname 0.0665 28 H12 1.3151 1.0589 0.4351 H 1 noname 0.0654 29 H13 0.1818 -2.0968 -2.2222 H 1 noname 0.0627 30 H14 0.5867 -1.1484 1.8007 H 1 noname 0.2109 31 H15 2.0501 -1.4985 -3.7222 H 1 noname 0.0651 32 H16 3.1335 2.2972 -0.1314 H 1 noname 0.2183 33 H17 3.7601 -0.1817 -4.0589 H 1 noname 0.2183 @BOND 1 1 10 1 2 1 30 1 3 2 14 1 4 2 32 1 5 3 16 1 6 3 33 1 7 4 5 1 8 4 9 1 9 4 24 1 10 5 6 1 11 5 7 1 12 5 17 1 13 6 8 1 14 6 18 1 15 6 19 1 16 7 8 1 17 7 20 1 18 7 21 1 19 8 22 1 20 8 23 1 21 9 10 1 22 9 25 1 23 9 26 1 24 10 11 1 25 10 27 1 26 11 12 2 27 11 13 1 28 12 14 1 29 12 28 1 30 13 15 2 31 13 29 1 32 14 16 2 33 15 16 1 34 15 31 1 @SUBSTRUCTURE 1 noname 1