@MOLECULE 76853225 29 28 1 SMALL USER_CHARGES @ATOM 1 N1 3.3384 -1.2011 -0.1177 N.3 1 noname -0.3172 2 C1 2.0211 -1.4155 -0.7147 C.3 1 noname 0.0040 3 C2 1.0169 -1.7763 0.3817 C.3 1 noname -0.0345 4 C3 -0.3616 -2.0007 -0.2431 C.3 1 noname -0.0333 5 C4 1.5672 -0.1366 -1.4213 C.3 1 noname -0.0498 6 C5 -1.3002 -2.3380 0.7816 C.2 1 noname -0.0839 7 C6 3.7721 -2.4232 0.5575 C.3 1 noname -0.0161 8 C7 -2.5701 -2.5779 0.4674 C.2 1 noname -0.0822 9 C8 -3.5088 -2.9152 1.4922 C.3 1 noname -0.0442 10 C9 -2.9969 -2.4986 -0.8951 C.3 1 noname -0.0442 11 H1 2.0780 -2.2293 -1.4376 H 1 noname 0.0461 12 H2 1.3403 -2.6874 0.8850 H 1 noname 0.0285 13 H3 0.9601 -0.9625 1.1045 H 1 noname 0.0285 14 H4 -0.3048 -2.8145 -0.9660 H 1 noname 0.0310 15 H5 -0.6850 -1.0896 -0.7465 H 1 noname 0.0310 16 H6 0.5851 -0.2964 -1.8664 H 1 noname 0.0246 17 H7 2.2827 0.1205 -2.2024 H 1 noname 0.0246 18 H8 1.5104 0.6773 -0.6985 H 1 noname 0.0246 19 H9 4.0092 -0.9600 -0.8501 H 1 noname 0.1221 20 H10 -1.0048 -2.3929 1.7249 H 1 noname 0.0575 21 H11 4.7542 -2.2633 1.0026 H 1 noname 0.0391 22 H12 3.0567 -2.6802 1.3386 H 1 noname 0.0391 23 H13 3.8290 -3.2370 -0.1654 H 1 noname 0.0391 24 H14 -3.9668 -2.0050 1.8793 H 1 noname 0.0276 25 H15 -4.2814 -3.5630 1.0782 H 1 noname 0.0276 26 H16 -2.9936 -3.4346 2.3002 H 1 noname 0.0276 27 H17 -3.7734 -1.7395 -0.9890 H 1 noname 0.0276 28 H18 -3.3932 -3.4644 -1.2085 H 1 noname 0.0276 29 H19 -2.1493 -2.2315 -1.5263 H 1 noname 0.0276 @BOND 1 2 1 1 2 1 7 1 3 1 19 1 4 2 3 1 5 2 5 1 6 2 11 1 7 3 4 1 8 3 12 1 9 3 13 1 10 4 6 1 11 4 14 1 12 4 15 1 13 5 16 1 14 5 17 1 15 5 18 1 16 6 8 2 17 6 20 1 18 7 21 1 19 7 22 1 20 7 23 1 21 8 9 1 22 8 10 1 23 9 24 1 24 9 25 1 25 9 26 1 26 10 27 1 27 10 28 1 28 10 29 1 @SUBSTRUCTURE 1 noname 1