@MOLECULE 56842802 29 29 1 SMALL USER_CHARGES @ATOM 1 N1 -2.7918 -1.7620 1.0763 N.3 1 noname -0.3063 2 C1 -2.1906 -1.0047 -0.0203 C.3 1 noname 0.0102 3 C2 -0.6860 -1.2786 -0.0645 C.3 1 noname 0.0147 4 C3 -2.4305 0.4902 0.2006 C.3 1 noname -0.0492 5 C4 -0.0856 -0.5223 -1.1596 C.2 1 noname -0.0568 6 C5 -2.5625 -3.1904 0.8652 C.3 1 noname -0.0133 7 C6 -4.2295 -1.5002 1.1186 C.3 1 noname -0.0133 8 C7 0.3908 0.7643 -0.9365 C.2 1 noname -0.0634 9 C8 0.0096 -1.0889 -2.4253 C.2 1 noname -0.0634 10 C9 0.9624 1.4843 -1.9791 C.2 1 noname -0.0629 11 C10 0.5812 -0.3689 -3.4679 C.2 1 noname -0.0629 12 C11 1.0576 0.9177 -3.2448 C.2 1 noname -0.0681 13 H1 -2.6434 -1.3098 -0.9637 H 1 noname 0.0467 14 H2 -0.5150 -2.3436 -0.2219 H 1 noname 0.0332 15 H3 -0.2332 -0.9735 0.8788 H 1 noname 0.0332 16 H4 -1.9823 1.0548 -0.6170 H 1 noname 0.0246 17 H5 -3.5024 0.6854 0.2321 H 1 noname 0.0246 18 H6 -1.9777 0.7953 1.1440 H 1 noname 0.0246 19 H7 -3.0107 -3.7550 1.6828 H 1 noname 0.0394 20 H8 -3.0153 -3.4955 -0.0781 H 1 noname 0.0394 21 H9 -1.4906 -3.3856 0.8337 H 1 noname 0.0394 22 H10 -4.6777 -2.0648 1.9362 H 1 noname 0.0394 23 H11 -4.6823 -1.8053 0.1752 H 1 noname 0.0394 24 H12 -4.4004 -0.4352 1.2760 H 1 noname 0.0394 25 H13 0.3210 1.1800 -0.0077 H 1 noname 0.0625 26 H14 -0.3400 -2.0330 -2.5891 H 1 noname 0.0625 27 H15 1.3120 2.4284 -1.8153 H 1 noname 0.0622 28 H16 0.6510 -0.7847 -4.3967 H 1 noname 0.0622 29 H17 1.4770 1.4461 -4.0098 H 1 noname 0.0622 @BOND 1 2 1 1 2 1 6 1 3 1 7 1 4 2 3 1 5 2 4 1 6 2 13 1 7 3 5 1 8 3 14 1 9 3 15 1 10 4 16 1 11 4 17 1 12 4 18 1 13 5 8 2 14 5 9 1 15 6 19 1 16 6 20 1 17 6 21 1 18 7 22 1 19 7 23 1 20 7 24 1 21 8 10 1 22 8 25 1 23 9 11 2 24 9 26 1 25 10 12 2 26 10 27 1 27 11 12 1 28 11 28 1 29 12 29 1 @SUBSTRUCTURE 1 noname 1