@MOLECULE DB01365 29 29 1 SMALL USER_CHARGES @ATOM 1 N1 -3.1405 -1.5550 0.2747 N.3 1 noname -0.3144 2 C1 -1.8036 -1.2998 0.8085 C.3 1 noname 0.0163 3 C2 -4.1081 -1.5704 1.3706 C.3 1 noname -0.0159 4 C3 -0.7911 -1.2836 -0.3384 C.3 1 noname 0.0161 5 C4 -1.7889 0.0541 1.5210 C.3 1 noname -0.0468 6 C5 -1.4318 -2.4027 1.8015 C.3 1 noname -0.0468 7 C6 0.5440 -1.0287 0.1947 C.2 1 noname -0.0566 8 C7 1.3516 -2.0911 0.5836 C.2 1 noname -0.0631 9 C8 1.0076 0.2763 0.3132 C.2 1 noname -0.0631 10 C9 2.6227 -1.8484 1.0911 C.2 1 noname -0.0628 11 C10 2.2786 0.5190 0.8208 C.2 1 noname -0.0628 12 C11 3.0862 -0.5434 1.2097 C.2 1 noname -0.0679 13 H1 -3.3615 -1.6985 -0.7004 H 1 noname 0.1224 14 H2 -4.3414 -2.6019 1.6348 H 1 noname 0.0391 15 H3 -3.6850 -1.0605 2.2360 H 1 noname 0.0391 16 H4 -5.0193 -1.0605 1.0580 H 1 noname 0.0391 17 H5 -0.7579 -2.2872 -0.7625 H 1 noname 0.0334 18 H6 -1.0277 -0.4307 -0.9745 H 1 noname 0.0334 19 H7 -1.7906 -0.1029 2.5996 H 1 noname 0.0249 20 H8 -0.8928 0.6052 1.2354 H 1 noname 0.0249 21 H9 -2.6727 0.6246 1.2354 H 1 noname 0.0249 22 H10 -1.5566 -2.0326 2.8191 H 1 noname 0.0249 23 H11 -2.0804 -3.2650 1.6465 H 1 noname 0.0249 24 H12 -0.3937 -2.6964 1.6465 H 1 noname 0.0249 25 H13 0.9881 -3.1145 0.4906 H 1 noname 0.0625 26 H14 0.3743 1.1094 0.0082 H 1 noname 0.0625 27 H15 3.2559 -2.6816 1.3961 H 1 noname 0.0622 28 H16 2.6421 1.5424 0.9137 H 1 noname 0.0622 29 H17 4.0829 -0.3531 1.6077 H 1 noname 0.0622 @BOND 1 1 2 1 2 1 3 1 3 2 4 1 4 2 5 1 5 2 6 1 6 4 7 1 7 7 8 2 8 7 9 1 9 8 10 1 10 9 11 2 11 10 12 2 12 11 12 1 13 1 13 1 14 3 14 1 15 3 15 1 16 3 16 1 17 4 17 1 18 4 18 1 19 5 19 1 20 5 20 1 21 5 21 1 22 6 22 1 23 6 23 1 24 6 24 1 25 8 25 1 26 9 26 1 27 10 27 1 28 11 28 1 29 12 29 1 @SUBSTRUCTURE 1 noname 1