@MOLECULE 73425431 30 30 1 SMALL USER_CHARGES @ATOM 1 N1 -2.7135 -2.0276 0.8077 N.3 1 noname -0.3128 2 N2 -7.3030 -1.5377 -0.1229 N.1 1 noname -0.1962 3 C1 -1.7116 -0.9676 0.9086 C.3 1 noname 0.0080 4 C2 -1.6331 -0.2121 -0.4195 C.3 1 noname 0.0146 5 C3 -0.6326 0.8465 -0.3188 C.2 1 noname -0.0568 6 C4 -0.3477 -1.5836 1.2263 C.3 1 noname -0.0494 7 C5 -4.0169 -1.4390 0.5040 C.3 1 noname 0.0085 8 C6 0.6907 0.5864 -0.6553 C.2 1 noname -0.0634 9 C7 -1.0034 2.1144 0.1137 C.2 1 noname -0.0634 10 C8 -5.0653 -2.5483 0.3984 C.3 1 noname 0.0475 11 C9 1.6432 1.5941 -0.5594 C.2 1 noname -0.0629 12 C10 -0.0509 3.1221 0.2097 C.2 1 noname -0.0629 13 C11 1.2724 2.8620 -0.1269 C.2 1 noname -0.0682 14 C12 -6.2795 -1.9999 0.1155 C.1 1 noname 0.0616 15 H1 -1.9924 -0.2768 1.7036 H 1 noname 0.0465 16 H2 -2.6048 0.2268 -0.6459 H 1 noname 0.0332 17 H3 -1.3523 -0.9029 -1.2145 H 1 noname 0.0332 18 H4 -2.7660 -2.5323 1.6948 H 1 noname 0.1225 19 H5 0.3993 -0.7934 1.3016 H 1 noname 0.0246 20 H6 -0.4036 -2.1219 2.1725 H 1 noname 0.0246 21 H7 -0.0669 -2.2745 0.4313 H 1 noname 0.0246 22 H8 -4.2976 -0.7482 1.2990 H 1 noname 0.0438 23 H9 -3.9609 -0.9007 -0.4421 H 1 noname 0.0438 24 H10 0.9628 -0.3440 -0.9727 H 1 noname 0.0625 25 H11 -1.9745 2.3052 0.3607 H 1 noname 0.0625 26 H12 -5.1213 -3.0866 1.3446 H 1 noname 0.0437 27 H13 -4.7845 -3.2391 -0.3966 H 1 noname 0.0437 28 H14 2.6143 1.4033 -0.8064 H 1 noname 0.0622 29 H15 -0.3230 4.0525 0.5271 H 1 noname 0.0622 30 H16 1.9714 3.6015 -0.0565 H 1 noname 0.0622 @BOND 1 3 1 1 2 1 7 1 3 1 18 1 4 2 14 3 5 3 4 1 6 3 6 1 7 3 15 1 8 4 5 1 9 4 16 1 10 4 17 1 11 5 8 2 12 5 9 1 13 6 19 1 14 6 20 1 15 6 21 1 16 7 10 1 17 7 22 1 18 7 23 1 19 8 11 1 20 8 24 1 21 9 12 2 22 9 25 1 23 10 14 1 24 10 26 1 25 10 27 1 26 11 13 2 27 11 28 1 28 12 13 1 29 12 29 1 30 13 30 1 @SUBSTRUCTURE 1 noname 1