@MOLECULE DB06802 33 34 1 SMALL USER_CHARGES @ATOM 1 O1 -1.4237 -1.4377 -1.3851 O.2 1 noname -0.2964 2 C1 -0.8903 -0.8650 -0.4104 C.2 1 noname 0.0605 3 C2 0.2857 -0.1450 -0.5858 C.2 1 noname -0.0292 4 C3 -1.4731 -0.9482 0.8487 C.2 1 noname -0.0166 5 C4 1.1990 -0.0411 0.4568 C.2 1 noname 0.0100 6 C5 0.5483 0.4711 -1.8038 C.2 1 noname -0.0228 7 C6 -2.6491 -1.6682 1.0241 C.2 1 noname -0.0190 8 C7 -0.8799 -0.3113 1.9326 C.2 1 noname -0.0190 9 N1 0.9459 -0.6350 1.6310 N.3 1 noname -0.1446 10 C8 2.3750 0.6790 0.2815 C.2 1 noname -0.0488 11 C9 1.7243 1.1912 -1.9792 C.2 1 noname -0.0786 12 C10 -3.2319 -1.7513 2.2833 C.2 1 noname -0.0477 13 C11 -1.4628 -0.3944 3.1917 C.2 1 noname -0.0477 14 C12 2.6376 1.2951 -0.9365 C.2 1 noname -0.0390 15 C13 3.3343 0.7881 1.3766 C.3 1 noname 0.0477 16 C14 -2.6387 -1.1145 3.3671 C.2 1 noname -0.0423 17 C15 3.0216 1.9649 2.1822 C.2 1 noname 0.0347 18 O2 2.7457 1.8371 3.3946 O.2 1 noname -0.2970 19 N2 3.0302 3.1821 1.6217 N.3 1 noname -0.0895 20 H1 -0.1679 0.3897 -2.6214 H 1 noname 0.0630 21 H2 -3.1142 -2.1676 0.1742 H 1 noname 0.0630 22 H3 0.0422 0.2534 1.7950 H 1 noname 0.0630 23 H4 1.7055 -0.8589 2.2579 H 1 noname 0.1243 24 H5 -0.0046 -0.8589 1.8892 H 1 noname 0.1243 25 H6 1.9302 1.6743 -2.9343 H 1 noname 0.0622 26 H7 -4.1540 -2.3160 2.4208 H 1 noname 0.0622 27 H8 -0.9976 0.1050 4.0416 H 1 noname 0.0622 28 H9 3.5598 1.8597 -1.0740 H 1 noname 0.0626 29 H10 3.1816 -0.0809 2.0166 H 1 noname 0.0411 30 H11 4.3097 0.9668 0.9239 H 1 noname 0.0411 31 H12 -3.0957 -1.1797 4.3545 H 1 noname 0.0622 32 H13 3.9081 3.6346 1.4105 H 1 noname 0.1271 33 H14 2.1588 3.6470 1.4105 H 1 noname 0.1271 @BOND 1 1 2 2 2 2 3 1 3 2 4 1 4 3 5 2 5 3 6 1 6 4 7 2 7 4 8 1 8 5 9 1 9 5 10 1 10 6 11 2 11 7 12 1 12 8 13 2 13 10 14 2 14 10 15 1 15 11 14 1 16 12 16 2 17 13 16 1 18 15 17 1 19 17 18 2 20 17 19 1 21 6 20 1 22 7 21 1 23 8 22 1 24 9 23 1 25 9 24 1 26 11 25 1 27 12 26 1 28 13 27 1 29 14 28 1 30 15 29 1 31 15 30 1 32 16 31 1 33 19 32 1 34 19 33 1 @SUBSTRUCTURE 1 noname 1