@MOLECULE 92460929 33 34 1 SMALL USER_CHARGES @ATOM 1 N1 -1.8864 -5.5166 -0.6919 N.3 1 noname -0.3276 2 C1 0.9105 -0.5345 0.6638 C.2 1 noname -0.0615 3 C2 2.0107 0.1702 -0.0469 C.3 1 noname 0.0057 4 C3 2.4180 1.5567 0.5348 C.3 1 noname -0.0489 5 C4 1.2231 2.4018 1.0591 C.3 1 noname -0.0489 6 C5 0.1926 1.6128 1.9176 C.3 1 noname 0.0046 7 C6 0.0631 0.1667 1.6050 C.2 1 noname -0.0667 8 C7 -0.3731 -2.5938 1.0478 C.2 1 noname -0.0652 9 C8 0.6913 -1.9123 0.3734 C.2 1 noname -0.0674 10 C9 -0.6291 -4.0009 0.7543 C.3 1 noname 0.0133 11 C10 -0.9692 -0.5322 2.2910 C.2 1 noname -0.0669 12 C11 -1.1872 -1.9125 2.0045 C.2 1 noname -0.0717 13 C12 -1.6300 -4.1076 -0.3980 C.3 1 noname 0.0052 14 C13 -1.0532 -3.4244 -1.6395 C.3 1 noname -0.0497 15 H1 1.7515 0.2800 -1.0999 H 1 noname 0.0316 16 H2 2.8772 -0.4886 -0.1037 H 1 noname 0.0316 17 H3 2.9594 2.1237 -0.2226 H 1 noname 0.0270 18 H4 3.0457 1.3491 1.4014 H 1 noname 0.0270 19 H5 0.7123 2.8700 0.2177 H 1 noname 0.0270 20 H6 1.6034 3.2445 1.6366 H 1 noname 0.0270 21 H7 -0.7845 2.0899 1.8417 H 1 noname 0.0316 22 H8 0.4618 1.6646 2.9725 H 1 noname 0.0316 23 H9 1.2796 -2.4027 -0.3002 H 1 noname 0.0628 24 H10 -1.0400 -4.4876 1.6388 H 1 noname 0.0331 25 H11 0.3038 -4.4887 0.4715 H 1 noname 0.0331 26 H12 -1.5471 -0.0513 2.9804 H 1 noname 0.0625 27 H13 -2.5629 -3.6198 -0.1152 H 1 noname 0.0462 28 H14 -1.9307 -2.4176 2.4866 H 1 noname 0.0625 29 H15 -0.8621 -2.3739 -1.4204 H 1 noname 0.0246 30 H16 -1.7663 -3.5004 -2.4604 H 1 noname 0.0246 31 H17 -0.1204 -3.9122 -1.9223 H 1 noname 0.0246 32 H18 -2.2717 -5.9730 0.1375 H 1 noname 0.1186 33 H19 -2.5550 -5.5879 -1.4615 H 1 noname 0.1186 @BOND 1 13 1 1 2 1 32 1 3 1 33 1 4 2 3 1 5 2 7 2 6 2 9 1 7 3 4 1 8 3 15 1 9 3 16 1 10 4 5 1 11 4 17 1 12 4 18 1 13 5 6 1 14 5 19 1 15 5 20 1 16 6 7 1 17 6 21 1 18 6 22 1 19 7 11 1 20 8 9 2 21 8 10 1 22 8 12 1 23 9 23 1 24 10 13 1 25 10 24 1 26 10 25 1 27 11 12 2 28 11 26 1 29 12 28 1 30 13 14 1 31 13 27 1 32 14 29 1 33 14 30 1 34 14 31 1 @SUBSTRUCTURE 1 noname 1