@MOLECULE DB02414 31 33 1 SMALL USER_CHARGES @ATOM 1 O1 -0.2213 2.7921 -1.7209 O.2 1 noname -0.2858 2 C1 0.1371 2.1921 -0.6846 C.2 1 noname 0.0577 3 N1 1.1393 1.0897 -0.6966 N.3 1 noname -0.0541 4 C2 -0.4256 2.5342 0.7227 C.3 1 noname 0.1313 5 C3 1.3900 0.2916 0.5539 C.3 1 noname 0.0811 6 C4 2.4269 1.6909 -1.0712 C.3 1 noname 0.0067 7 N2 0.3596 2.0559 1.7806 N.2 1 noname -0.2159 8 C5 -0.5743 4.0333 0.9807 C.3 1 noname 0.0181 9 C6 1.1784 1.0576 1.7744 C.2 1 noname 0.0304 10 C7 2.8524 -0.1402 0.4785 C.3 1 noname -0.0281 11 C8 3.4539 0.6226 -0.7066 C.3 1 noname -0.0379 12 C9 -1.5665 4.3700 2.0425 C.2 1 noname -0.0672 13 O2 1.8254 0.7302 2.8774 O.3 1 noname -0.2601 14 N3 -1.7413 5.6205 2.4642 N.3 1 noname -0.0482 15 C10 -2.4739 3.5605 2.7515 C.2 1 noname 0.0122 16 C11 -2.6908 5.6108 3.4079 C.2 1 noname -0.0518 17 N4 -3.1448 4.3631 3.5861 N.2 1 noname -0.2418 18 H1 -1.3722 1.9985 0.7950 H 1 noname 0.0653 19 H2 0.6700 -0.5233 0.6297 H 1 noname 0.0561 20 H3 2.4253 1.8137 -2.1543 H 1 noname 0.0436 21 H4 2.5823 2.5548 -0.4250 H 1 noname 0.0436 22 H5 0.3869 4.3738 1.3657 H 1 noname 0.0357 23 H6 -0.9769 4.4626 0.0632 H 1 noname 0.0357 24 H7 3.3457 0.2146 1.3834 H 1 noname 0.0288 25 H8 2.8681 -1.2013 0.2296 H 1 noname 0.0288 26 H9 3.5199 -0.0695 -1.5461 H 1 noname 0.0280 27 H10 4.3480 1.1346 -0.3508 H 1 noname 0.0280 28 H11 1.8687 -0.2260 2.9512 H 1 noname 0.2196 29 H12 -1.2426 6.4319 2.1280 H 1 noname 0.1534 30 H13 -2.6316 2.4852 2.6678 H 1 noname 0.0856 31 H14 -3.0421 6.4883 3.9506 H 1 noname 0.1013 @BOND 1 1 2 2 2 2 3 1 3 2 4 1 4 5 3 1 5 3 6 1 6 4 7 1 7 4 8 1 8 5 9 1 9 5 10 1 10 6 11 1 11 7 9 2 12 8 12 1 13 9 13 1 14 10 11 1 15 12 14 1 16 12 15 2 17 14 16 1 18 15 17 1 19 16 17 2 20 4 18 1 21 5 19 1 22 6 20 1 23 6 21 1 24 8 22 1 25 8 23 1 26 10 24 1 27 10 25 1 28 11 26 1 29 11 27 1 30 13 28 1 31 14 29 1 32 15 30 1 33 16 31 1 @SUBSTRUCTURE 1 noname 1