@MOLECULE 58945624 32 34 1 SMALL USER_CHARGES @ATOM 1 O1 -6.9355 4.7650 -1.2885 O.3 1 noname -0.2192 2 O2 -6.0507 6.7515 -0.7025 O.2 1 noname -0.2599 3 N1 -1.1680 -1.0664 -0.5424 N.3 1 noname -0.0497 4 N2 -1.9531 -2.2126 -2.2345 N.2 1 noname -0.2163 5 N3 -0.3838 -0.7975 0.4884 N.2 1 noname -0.2646 6 C1 -2.8055 3.6218 1.2566 C.2 1 noname -0.0115 7 C2 -3.4093 3.0146 0.1616 C.2 1 noname -0.0116 8 C3 -1.0391 -2.2025 -1.2613 C.2 1 noname 0.0247 9 C4 -2.1728 -0.3407 -1.0576 C.2 1 noname -0.0245 10 C5 -4.4680 3.6418 -0.4847 C.2 1 noname 0.0133 11 C6 -4.9230 4.8763 -0.0361 C.2 1 noname -0.0085 12 C7 -3.2605 4.8563 1.7051 C.2 1 noname -0.0433 13 C8 -4.3192 5.4835 1.0588 C.2 1 noname -0.0111 14 C9 -2.6685 -1.0771 -2.1356 C.2 1 noname 0.0378 15 C10 -0.0456 -3.1535 -0.9276 C.2 1 noname 0.0206 16 C11 -1.6935 2.9629 1.9354 C.3 1 noname 0.0084 17 C12 -2.9865 1.8672 -0.2553 C.1 1 noname -0.0225 18 C13 0.8109 -2.8807 0.1825 C.2 1 noname 0.0302 19 C14 -2.5957 0.8068 -0.6406 C.1 1 noname -0.0089 20 C15 0.6189 -1.6605 0.8982 C.2 1 noname 0.0186 21 C16 -5.9817 5.5036 -0.6824 C.2 1 noname 0.0825 22 H1 -4.9111 3.1963 -1.2881 H 1 noname 0.0644 23 H2 -2.8174 5.3018 2.5086 H 1 noname 0.0626 24 H3 -4.6530 6.3894 1.3880 H 1 noname 0.0631 25 H4 -3.4400 -0.8017 -2.7433 H 1 noname 0.0868 26 H5 0.0564 -4.0132 -1.4670 H 1 noname 0.0660 27 H6 -1.9590 2.7830 2.9772 H 1 noname 0.0280 28 H7 -1.4803 2.0129 1.4455 H 1 noname 0.0280 29 H8 -0.8109 3.6010 1.8904 H 1 noname 0.0280 30 H9 1.5397 -3.5397 0.4564 H 1 noname 0.0640 31 H10 1.2094 -1.4284 1.6968 H 1 noname 0.0856 32 H11 -7.4044 5.1187 -2.0730 H 1 noname 0.2216 @BOND 1 1 21 1 2 1 32 1 3 2 21 2 4 3 5 1 5 3 8 1 6 3 9 1 7 4 8 2 8 4 14 1 9 5 20 2 10 6 7 2 11 6 12 1 12 6 16 1 13 7 10 1 14 7 17 1 15 8 15 1 16 9 14 2 17 9 19 1 18 10 11 2 19 10 22 1 20 11 13 1 21 11 21 1 22 12 13 2 23 12 23 1 24 13 24 1 25 14 25 1 26 15 18 2 27 15 26 1 28 16 27 1 29 16 28 1 30 16 29 1 31 17 19 3 32 18 20 1 33 18 30 1 34 20 31 1 @SUBSTRUCTURE 1 noname 1