@MOLECULE 4-(3-phenanthryl)butanoic acid 36 38 0 0 0 SMALL GASTEIGER @ATOM 1 O -6.5489 1.1384 -0.0764 O.3 1 UNL1111111111 -0.5780 2 O -5.1053 0.7036 -1.7146 O.2 1 UNL1111111111 -0.4995 3 C 1.4412 -0.4033 0.2227 C.ar 1 UNL1111111111 0.0019 4 C -0.8569 -0.9469 0.7983 C.ar 1 UNL1111111111 0.0254 5 C -2.2054 -0.5304 1.3029 C.3 1 UNL1111111111 -0.2852 6 C 1.6509 -1.7444 -0.1533 C.ar 1 UNL1111111111 -0.0219 7 C 2.5315 0.5432 0.1130 C.ar 1 UNL1111111111 -0.0159 8 C 0.1677 -0.0254 0.6997 C.ar 1 UNL1111111111 -0.1883 9 C -3.0909 -0.1124 0.1204 C.3 1 UNL1111111111 -0.2447 10 C 3.7817 0.0984 -0.3600 C.ar 1 UNL1111111111 -0.0025 11 C -0.6421 -2.2859 0.4130 C.ar 1 UNL1111111111 -0.1746 12 C 0.5932 -2.6754 -0.0548 C.ar 1 UNL1111111111 -0.1369 13 C 2.9393 -2.1638 -0.6333 C.ar 1 UNL1111111111 -0.1457 14 C -4.4713 0.3228 0.6152 C.3 1 UNL1111111111 -0.3496 15 C 3.9622 -1.2791 -0.7312 C.ar 1 UNL1111111111 -0.1575 16 C 2.3846 1.9034 0.4639 C.ar 1 UNL1111111111 -0.1495 17 C 4.8560 1.0087 -0.4699 C.ar 1 UNL1111111111 -0.1525 18 C 3.4425 2.7811 0.3504 C.ar 1 UNL1111111111 -0.1443 19 C 4.6900 2.3315 -0.1195 C.ar 1 UNL1111111111 -0.1446 20 C -5.3374 0.7170 -0.5362 C.2 1 UNL1111111111 0.6451 21 H -2.1144 0.3039 2.0277 H 1 UNL1111111111 0.1497 22 H -2.6833 -1.3559 1.8684 H 1 UNL1111111111 0.1478 23 H -0.0086 1.0085 0.9934 H 1 UNL1111111111 0.1577 24 H -2.6071 0.7070 -0.4503 H 1 UNL1111111111 0.1610 25 H -3.1843 -0.9470 -0.6041 H 1 UNL1111111111 0.1588 26 H -1.4573 -3.0023 0.4869 H 1 UNL1111111111 0.1536 27 H 0.7683 -3.7078 -0.3542 H 1 UNL1111111111 0.1532 28 H 3.0651 -3.2087 -0.9137 H 1 UNL1111111111 0.1562 29 H -4.9634 -0.4919 1.1912 H 1 UNL1111111111 0.1806 30 H -4.3892 1.1700 1.3316 H 1 UNL1111111111 0.1811 31 H 4.9431 -1.5852 -1.0925 H 1 UNL1111111111 0.1563 32 H 1.4233 2.2644 0.8275 H 1 UNL1111111111 0.1531 33 H 5.8171 0.6515 -0.8358 H 1 UNL1111111111 0.1527 34 H 3.3208 3.8278 0.6223 H 1 UNL1111111111 0.1503 35 H 5.5158 3.0350 -0.2033 H 1 UNL1111111111 0.1499 36 H -7.1720 1.4144 -0.7907 H 1 UNL1111111111 0.3567 @BOND 1 1 20 1 2 1 36 1 3 2 20 2 4 3 6 ar 5 3 7 ar 6 3 8 ar 7 4 5 1 8 4 8 ar 9 4 11 ar 10 5 9 1 11 5 21 1 12 5 22 1 13 6 12 ar 14 6 13 ar 15 7 10 ar 16 7 16 ar 17 8 23 1 18 9 14 1 19 9 24 1 20 9 25 1 21 10 15 ar 22 10 17 ar 23 11 12 ar 24 11 26 1 25 12 27 1 26 13 15 ar 27 13 28 1 28 14 20 1 29 14 29 1 30 14 30 1 31 15 31 1 32 16 18 ar 33 16 32 1 34 17 19 ar 35 17 33 1 36 18 19 ar 37 18 34 1 38 19 35 1