@MOLECULE DB01352 29 29 1 SMALL USER_CHARGES @ATOM 1 O1 -0.9689 -1.2808 0.0605 O.2 1 noname -0.2799 2 C1 -0.2438 -0.2634 0.0227 C.2 1 noname 0.0379 3 N1 -0.8080 1.1119 -0.1199 N.3 1 noname 0.0839 4 N2 1.2447 -0.3421 0.1172 N.3 1 noname 0.0839 5 C2 0.1153 2.0628 -0.7880 C.2 1 noname 0.0930 6 C3 1.8638 0.8728 0.7029 C.2 1 noname 0.0930 7 O2 -0.1856 2.7011 -1.8197 O.2 1 noname -0.2830 8 C4 1.5052 2.1881 -0.0727 C.3 1 noname 0.1236 9 O3 2.5984 0.8501 1.7141 O.2 1 noname -0.2830 10 C5 2.5894 2.4789 -1.1123 C.3 1 noname -0.0243 11 C6 1.5999 3.4339 0.8105 C.3 1 noname -0.0126 12 C7 2.6403 1.3368 -2.1292 C.3 1 noname -0.0613 13 C8 3.9455 2.6012 -0.4145 C.3 1 noname -0.0613 14 C9 0.5887 3.3804 1.8202 C.2 1 noname -0.0946 15 C10 0.4820 4.3654 2.7074 C.2 1 noname -0.0985 16 H1 -1.7276 1.3742 0.2050 H 1 noname 0.1414 17 H2 1.7820 -1.1416 -0.1864 H 1 noname 0.1414 18 H3 2.3595 3.4125 -1.6257 H 1 noname 0.0313 19 H4 2.5494 3.3954 1.3443 H 1 noname 0.0325 20 H5 1.3549 4.3002 0.1960 H 1 noname 0.0325 21 H6 2.6828 0.3833 -1.6028 H 1 noname 0.0233 22 H7 1.7481 1.3671 -2.7546 H 1 noname 0.0233 23 H8 3.5263 1.4464 -2.7546 H 1 noname 0.0233 24 H9 3.8007 2.5881 0.6658 H 1 noname 0.0233 25 H10 4.5809 1.7649 -0.7060 H 1 noname 0.0233 26 H11 4.4210 3.5377 -0.7060 H 1 noname 0.0233 27 H12 -0.1243 2.5616 1.9168 H 1 noname 0.0570 28 H13 1.3768 4.8707 3.0710 H 1 noname 0.0534 29 H14 -0.5002 4.6675 3.0710 H 1 noname 0.0534 @BOND 1 1 2 2 2 2 3 1 3 2 4 1 4 3 5 1 5 4 6 1 6 5 7 2 7 5 8 1 8 6 9 2 9 6 8 1 10 8 10 1 11 8 11 1 12 10 12 1 13 10 13 1 14 11 14 1 15 14 15 2 16 3 16 1 17 4 17 1 18 10 18 1 19 11 19 1 20 11 20 1 21 12 21 1 22 12 22 1 23 12 23 1 24 13 24 1 25 13 25 1 26 13 26 1 27 14 27 1 28 15 28 1 29 15 29 1 @SUBSTRUCTURE 1 noname 1