@MOLECULE 5(4h)-acephenanthrylenone 27 30 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.6175 -2.8271 -0.0004 O.2 1 UNL1111111111 -0.4223 2 C -0.9453 0.2580 0.0001 C.ar 1 UNL1111111111 -0.0337 3 C -2.2855 0.7192 0.0002 C.ar 1 UNL1111111111 0.0132 4 C -0.8634 -1.1754 0.0002 C.ar 1 UNL1111111111 -0.1711 5 C 0.1621 1.0965 -0.0001 C.ar 1 UNL1111111111 -0.0115 6 C -3.2045 -0.4659 -0.0002 C.3 1 UNL1111111111 -0.3867 7 C 1.4592 0.4537 -0.0002 C.ar 1 UNL1111111111 0.0153 8 C -2.2607 -1.6839 -0.0002 C.2 1 UNL1111111111 0.4915 9 C 1.5336 -0.9600 0.0002 C.ar 1 UNL1111111111 -0.0354 10 C 0.3438 -1.7830 0.0003 C.ar 1 UNL1111111111 -0.0585 11 C -2.5218 2.0701 0.0003 C.ar 1 UNL1111111111 -0.1644 12 C -0.1060 2.4862 -0.0000 C.ar 1 UNL1111111111 -0.1557 13 C -1.4095 2.9469 0.0002 C.ar 1 UNL1111111111 -0.1284 14 C 2.6538 1.2031 -0.0006 C.ar 1 UNL1111111111 -0.1604 15 C 2.8003 -1.5845 0.0005 C.ar 1 UNL1111111111 -0.1317 16 C 3.8815 0.5723 -0.0004 C.ar 1 UNL1111111111 -0.1267 17 C 3.9560 -0.8318 0.0002 C.ar 1 UNL1111111111 -0.1542 18 H -3.8696 -0.4911 0.8826 H 1 UNL1111111111 0.1853 19 H -3.8691 -0.4907 -0.8836 H 1 UNL1111111111 0.1853 20 H 0.4499 -2.8685 0.0004 H 1 UNL1111111111 0.1715 21 H -3.5288 2.4763 0.0005 H 1 UNL1111111111 0.1573 22 H 0.7219 3.1918 -0.0001 H 1 UNL1111111111 0.1544 23 H -1.6003 4.0200 0.0004 H 1 UNL1111111111 0.1505 24 H 2.6010 2.2910 -0.0012 H 1 UNL1111111111 0.1559 25 H 2.8544 -2.6732 0.0009 H 1 UNL1111111111 0.1562 26 H 4.8008 1.1563 -0.0006 H 1 UNL1111111111 0.1517 27 H 4.9313 -1.3151 0.0005 H 1 UNL1111111111 0.1524 @BOND 1 1 8 2 2 2 3 ar 3 2 4 ar 4 2 5 ar 5 3 6 1 6 3 11 ar 7 4 8 1 8 4 10 ar 9 5 7 ar 10 5 12 ar 11 6 8 1 12 6 18 1 13 6 19 1 14 7 9 ar 15 7 14 ar 16 9 10 ar 17 9 15 ar 18 10 20 1 19 11 13 ar 20 11 21 1 21 12 13 ar 22 12 22 1 23 13 23 1 24 14 16 ar 25 14 24 1 26 15 17 ar 27 15 25 1 28 16 17 ar 29 16 26 1 30 17 27 1