@MOLECULE anthraquinone, 1-piperidino- 39 42 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.3963 -1.6716 0.0879 O.2 1 UNL111111111 -0.4230 2 O 3.2354 2.1879 0.4578 O.2 1 UNL111111111 -0.4213 3 N -2.4002 0.1116 -0.0426 N.pl3 1 UNL111111111 -0.4222 4 C -3.6678 0.4780 -0.7079 C.3 1 UNL111111111 -0.0901 5 C -2.6298 -0.6447 1.2093 C.3 1 UNL111111111 -0.0538 6 C -4.4080 -0.8215 -1.0871 C.3 1 UNL111111111 -0.2718 7 C -3.3452 -1.9636 0.8687 C.3 1 UNL111111111 -0.2757 8 C -4.6722 -1.6758 0.1582 C.3 1 UNL111111111 -0.2644 9 C -1.3737 1.0651 -0.0220 C.ar 1 UNL111111111 0.2715 10 C -0.0182 0.6694 0.0626 C.ar 1 UNL111111111 -0.2213 11 C 0.9719 1.6665 0.0811 C.ar 1 UNL111111111 -0.0549 12 C -1.6774 2.4421 -0.1801 C.ar 1 UNL111111111 -0.2676 13 C 0.3855 -0.7503 0.0356 C.2 1 UNL111111111 0.4612 14 C 1.8391 -1.0705 -0.0782 C.ar 1 UNL111111111 -0.1002 15 C 2.4160 1.3312 0.2153 C.2 1 UNL111111111 0.4461 16 C 2.8139 -0.0780 0.0192 C.ar 1 UNL111111111 -0.1212 17 C 0.6567 3.0110 -0.0403 C.ar 1 UNL111111111 -0.1657 18 C -0.6792 3.3953 -0.1937 C.ar 1 UNL111111111 -0.0720 19 C 2.2176 -2.3988 -0.2666 C.ar 1 UNL111111111 -0.1023 20 C 4.1652 -0.4062 -0.0725 C.ar 1 UNL111111111 -0.0953 21 C 3.5698 -2.7281 -0.3653 C.ar 1 UNL111111111 -0.1379 22 C 4.5419 -1.7352 -0.2680 C.ar 1 UNL111111111 -0.1465 23 H -3.4417 1.0535 -1.6327 H 1 UNL111111111 0.1392 24 H -4.3152 1.1096 -0.0623 H 1 UNL111111111 0.1183 25 H -3.2427 -0.0444 1.9186 H 1 UNL111111111 0.1116 26 H -1.6614 -0.8538 1.7133 H 1 UNL111111111 0.1543 27 H -3.7903 -1.3960 -1.8078 H 1 UNL111111111 0.1572 28 H -5.3513 -0.5760 -1.6035 H 1 UNL111111111 0.1322 29 H -3.5054 -2.5542 1.7858 H 1 UNL111111111 0.1330 30 H -2.6851 -2.5718 0.2135 H 1 UNL111111111 0.1720 31 H -5.3708 -1.1580 0.8400 H 1 UNL111111111 0.1319 32 H -5.1668 -2.6222 -0.1261 H 1 UNL111111111 0.1341 33 H -2.7143 2.7579 -0.2666 H 1 UNL111111111 0.1594 34 H 1.4473 3.7643 -0.0177 H 1 UNL111111111 0.1789 35 H -0.9280 4.4508 -0.3085 H 1 UNL111111111 0.1522 36 H 1.4507 -3.1750 -0.3361 H 1 UNL111111111 0.1765 37 H 4.9195 0.3801 0.0094 H 1 UNL111111111 0.1727 38 H 3.8640 -3.7653 -0.5187 H 1 UNL111111111 0.1518 39 H 5.5964 -1.9946 -0.3434 H 1 UNL111111111 0.1532 @BOND 1 1 13 2 2 2 15 2 3 3 4 1 4 3 5 1 5 3 9 1 6 4 6 1 7 4 23 1 8 4 24 1 9 5 7 1 10 5 25 1 11 5 26 1 12 6 8 1 13 6 27 1 14 6 28 1 15 7 8 1 16 7 29 1 17 7 30 1 18 8 31 1 19 8 32 1 20 9 10 ar 21 9 12 ar 22 10 11 ar 23 10 13 1 24 11 15 1 25 11 17 ar 26 12 18 ar 27 12 33 1 28 13 14 1 29 14 16 ar 30 14 19 ar 31 15 16 1 32 16 20 ar 33 17 18 ar 34 17 34 1 35 18 35 1 36 19 21 ar 37 19 36 1 38 20 22 ar 39 20 37 1 40 21 22 ar 41 21 38 1 42 22 39 1