@MOLECULE 67652146 28 30 1 SMALL USER_CHARGES @ATOM 1 N1 -0.0666 -2.4422 0.6873 N.2 1 noname -0.2412 2 N2 1.4233 -0.0688 0.1643 N.2 1 noname -0.2412 3 C1 0.0444 -0.0698 0.1841 C.2 1 noname 0.0331 4 C2 -0.6975 -1.2535 0.4061 C.2 1 noname 0.0331 5 C3 -2.1343 -1.1883 0.4176 C.2 1 noname 0.0040 6 C4 -0.6703 1.1732 0.0436 C.2 1 noname 0.0040 7 C5 -2.8260 0.0288 0.1752 C.2 1 noname -0.0406 8 C6 -2.0854 1.2249 0.0105 C.2 1 noname -0.0406 9 C7 -2.8510 -2.3752 0.7327 C.2 1 noname -0.0317 10 C8 0.0911 2.3657 -0.0632 C.2 1 noname -0.0317 11 C9 -0.7474 -3.5949 0.9910 C.2 1 noname -0.0020 12 C10 2.1654 1.0793 0.0628 C.2 1 noname -0.0020 13 C11 -2.1660 -3.5929 1.0103 C.2 1 noname -0.0312 14 C12 1.5131 2.3355 -0.0363 C.2 1 noname -0.0312 15 C13 3.6237 1.0097 0.0566 C.3 1 noname 0.0310 16 C14 -0.0133 -4.8201 1.2934 C.3 1 noname 0.0310 17 H1 -2.5658 2.1136 -0.1304 H 1 noname 0.0629 18 H2 -3.8445 0.0412 0.1205 H 1 noname 0.0629 19 H3 -0.3894 3.2601 -0.1609 H 1 noname 0.0630 20 H4 -3.8704 -2.3544 0.7604 H 1 noname 0.0630 21 H5 2.0528 3.1995 -0.0873 H 1 noname 0.0641 22 H6 -2.6849 -4.4460 1.2188 H 1 noname 0.0641 23 H7 0.6014 -5.0962 0.4367 H 1 noname 0.0295 24 H8 -0.7188 -5.6228 1.5082 H 1 noname 0.0295 25 H9 0.6255 -4.6561 2.1612 H 1 noname 0.0295 26 H10 3.9551 0.4072 -0.7891 H 1 noname 0.0295 27 H11 3.9697 0.5547 0.9847 H 1 noname 0.0295 28 H12 4.0351 2.0154 -0.0304 H 1 noname 0.0295 @BOND 1 1 4 1 2 1 11 2 3 2 3 1 4 2 12 2 5 3 4 1 6 3 6 2 7 4 5 2 8 5 7 1 9 5 9 1 10 6 8 1 11 6 10 1 12 7 8 2 13 7 18 1 14 8 17 1 15 9 13 2 16 9 20 1 17 10 14 2 18 10 19 1 19 11 13 1 20 11 16 1 21 12 14 1 22 12 15 1 23 13 22 1 24 14 21 1 25 15 26 1 26 15 27 1 27 15 28 1 28 16 23 1 29 16 24 1 30 16 25 1 @SUBSTRUCTURE 1 noname 1