@MOLECULE DB07482 32 33 1 SMALL USER_CHARGES @ATOM 1 O1 3.3456 0.7368 0.3900 O.2 1 noname -0.2894 2 C1 2.3284 1.1473 -0.2094 C.2 1 noname 0.0507 3 N1 1.0575 0.3950 -0.2060 N.3 1 noname -0.0639 4 C2 2.3202 2.4781 -1.0034 C.3 1 noname 0.0816 5 C3 -0.3059 0.9574 -0.1646 C.3 1 noname 0.0529 6 C4 1.0759 -1.0664 -0.1273 C.3 1 noname 0.0056 7 N2 3.6483 3.0512 -0.9375 N.3 1 noname -0.3062 8 C5 2.0298 2.3617 -2.4941 C.3 1 noname -0.0280 9 C6 -0.9856 -0.0518 -1.0930 C.3 1 noname -0.0375 10 B1 -0.9389 0.9566 1.3697 B 1 noname 0.1894 11 C7 -0.2445 -1.3907 -0.8418 C.3 1 noname -0.0389 12 C8 3.4799 4.1650 -1.8813 C.3 1 noname -0.0040 13 C9 2.6006 3.6790 -3.0373 C.3 1 noname -0.0387 14 O2 -0.0503 1.7976 2.2884 O.3 1 noname -0.2868 15 O3 -2.3486 1.5506 1.3402 O.3 1 noname -0.2868 16 H1 1.5611 3.1124 -0.5456 H 1 noname 0.0562 17 H2 -0.3390 1.9828 -0.5327 H 1 noname 0.0438 18 H3 1.9107 -1.4267 -0.7284 H 1 noname 0.0435 19 H4 0.9982 -1.3492 0.9225 H 1 noname 0.0435 20 H5 4.4504 2.7613 -0.3964 H 1 noname 0.1229 21 H6 2.6227 1.5388 -2.8933 H 1 noname 0.0288 22 H7 0.9487 2.3717 -2.6322 H 1 noname 0.0288 23 H8 -2.0145 -0.1690 -0.7530 H 1 noname 0.0277 24 H9 -0.7822 0.2570 -2.1183 H 1 noname 0.0277 25 H10 0.0140 -1.8061 -1.8159 H 1 noname 0.0280 26 H11 -0.8497 -1.9707 -0.1452 H 1 noname 0.0280 27 H12 2.9293 4.9397 -1.3476 H 1 noname 0.0428 28 H13 4.4699 4.3793 -2.2839 H 1 noname 0.0428 29 H14 3.2481 3.4473 -3.8829 H 1 noname 0.0280 30 H15 1.7776 4.3834 -3.1580 H 1 noname 0.0280 31 H16 -0.2591 1.5999 3.2043 H 1 noname 0.1898 32 H17 -2.6595 1.6816 2.2389 H 1 noname 0.1898 @BOND 1 1 2 2 2 2 3 1 3 4 2 1 4 3 5 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 12 1 12 8 13 1 13 9 11 1 14 10 14 1 15 10 15 1 16 12 13 1 17 4 16 1 18 5 17 1 19 6 18 1 20 6 19 1 21 7 20 1 22 8 21 1 23 8 22 1 24 9 23 1 25 9 24 1 26 11 25 1 27 11 26 1 28 12 27 1 29 12 28 1 30 13 29 1 31 13 30 1 32 14 31 1 33 15 32 1 @SUBSTRUCTURE 1 noname 1