@MOLECULE 119057997 29 30 1 SMALL USER_CHARGES @ATOM 1 O1 1.0419 1.8193 0.2510 O.3 1 noname -0.3725 2 N1 5.4053 1.5206 0.8320 N.3 1 noname -0.3168 3 C1 3.9908 1.1839 0.6796 C.3 1 noname 0.0097 4 C2 3.4168 1.9274 -0.5281 C.3 1 noname 0.0611 5 C3 2.0042 1.5912 -0.6802 C.2 1 noname 0.0463 6 C4 3.8455 -0.3242 0.4664 C.3 1 noname -0.0494 7 C5 1.4389 0.9870 -1.8046 C.2 1 noname 0.0046 8 C6 0.0884 0.8518 -1.5214 C.2 1 noname 0.0007 9 C7 -0.1358 1.3660 -0.2281 C.2 1 noname 0.0221 10 C8 -0.9565 0.2693 -2.2899 C.2 1 noname -0.0338 11 C9 -1.4135 1.3012 0.3958 C.2 1 noname -0.0080 12 C10 5.5441 2.9616 1.0358 C.3 1 noname -0.0161 13 C11 -2.2603 0.2198 -1.6926 C.2 1 noname -0.0523 14 C12 -2.4834 0.7190 -0.3643 C.2 1 noname -0.0439 15 H1 3.4486 1.4776 1.5784 H 1 noname 0.0465 16 H2 3.5202 3.0018 -0.3761 H 1 noname 0.0353 17 H3 3.9590 1.6337 -1.4269 H 1 noname 0.0353 18 H4 2.7909 -0.5751 0.3528 H 1 noname 0.0246 19 H5 4.2545 -0.8538 1.3268 H 1 noname 0.0246 20 H6 4.3878 -0.6179 -0.4324 H 1 noname 0.0246 21 H7 1.9201 0.7035 -2.6582 H 1 noname 0.0654 22 H8 5.7887 1.0239 1.6387 H 1 noname 0.1221 23 H9 -0.7865 -0.0978 -3.2262 H 1 noname 0.0629 24 H10 -1.5626 1.6529 1.3416 H 1 noname 0.0650 25 H11 6.5987 3.2126 1.1494 H 1 noname 0.0391 26 H12 5.0019 3.2553 1.9346 H 1 noname 0.0391 27 H13 5.1352 3.4913 0.1754 H 1 noname 0.0391 28 H14 -3.0397 -0.1756 -2.2186 H 1 noname 0.0622 29 H15 -3.4158 0.6591 0.0449 H 1 noname 0.0623 @BOND 1 1 5 1 2 1 9 1 3 2 3 1 4 2 12 1 5 2 22 1 6 3 4 1 7 3 6 1 8 3 15 1 9 4 5 1 10 4 16 1 11 4 17 1 12 5 7 2 13 6 18 1 14 6 19 1 15 6 20 1 16 7 8 1 17 7 21 1 18 8 9 1 19 8 10 2 20 9 11 2 21 10 13 1 22 10 23 1 23 11 14 1 24 11 24 1 25 12 25 1 26 12 26 1 27 12 27 1 28 13 14 2 29 13 28 1 30 14 29 1 @SUBSTRUCTURE 1 noname 1