@MOLECULE fd & c yellow no.3 32 34 0 0 0 SMALL GASTEIGER @ATOM 1 N 0.5147 -0.7079 0.0038 N.2 1 UNL1111 -0.1586 2 N -0.5624 -3.1380 -0.1915 N.pl3 1 UNL1111 -0.5803 3 N 1.1510 0.3692 -0.0766 N.2 1 UNL1111 -0.2160 4 C -1.8028 0.3661 0.0481 C.ar 1 UNL1111 0.0900 5 C -3.1930 0.1112 -0.0149 C.ar 1 UNL1111 -0.1140 6 C -0.8881 -0.7351 -0.0267 C.ar 1 UNL1111 -0.1365 7 C -1.3962 -2.0543 -0.1325 C.ar 1 UNL1111 0.3240 8 C -3.6703 -1.2266 -0.1394 C.ar 1 UNL1111 -0.0307 9 C -1.3864 1.7157 0.1960 C.ar 1 UNL1111 -0.1749 10 C -4.1214 1.1810 0.0497 C.ar 1 UNL1111 -0.1155 11 C -2.8102 -2.2812 -0.1904 C.ar 1 UNL1111 -0.3061 12 C -2.3010 2.7389 0.2611 C.ar 1 UNL1111 -0.1118 13 C -3.6864 2.4757 0.1840 C.ar 1 UNL1111 -0.1844 14 C 2.5773 0.2642 -0.0296 C.ar 1 UNL1111 0.1111 15 C 3.2719 1.2340 -0.7681 C.ar 1 UNL1111 -0.1487 16 C 3.2703 -0.6683 0.7512 C.ar 1 UNL1111 -0.1750 17 C 4.6615 1.2555 -0.7254 C.ar 1 UNL1111 -0.1435 18 C 4.6613 -0.6295 0.7881 C.ar 1 UNL1111 -0.1406 19 C 5.3568 0.3265 0.0497 C.ar 1 UNL1111 -0.1566 20 H -4.7494 -1.3883 -0.1903 H 1 UNL1111 0.1528 21 H -0.3209 1.9501 0.2615 H 1 UNL1111 0.1913 22 H -5.1851 0.9567 -0.0073 H 1 UNL1111 0.1458 23 H -3.1753 -3.3008 -0.2779 H 1 UNL1111 0.1646 24 H -1.9649 3.7691 0.3744 H 1 UNL1111 0.1500 25 H -4.3903 3.3018 0.2339 H 1 UNL1111 0.1489 26 H -0.9125 -4.0631 -0.2789 H 1 UNL1111 0.3037 27 H 0.4305 -3.0030 -0.1620 H 1 UNL1111 0.3262 28 H 2.7179 1.9568 -1.3673 H 1 UNL1111 0.1701 29 H 2.7201 -1.4116 1.3257 H 1 UNL1111 0.1645 30 H 5.2095 2.0014 -1.2989 H 1 UNL1111 0.1512 31 H 5.2060 -1.3498 1.3956 H 1 UNL1111 0.1499 32 H 6.4439 0.3498 0.0787 H 1 UNL1111 0.1489 @BOND 1 1 3 2 2 1 6 1 3 2 7 1 4 2 26 1 5 2 27 1 6 3 14 1 7 4 5 ar 8 4 6 ar 9 4 9 ar 10 5 8 ar 11 5 10 ar 12 6 7 ar 13 7 11 ar 14 8 11 ar 15 8 20 1 16 9 12 ar 17 9 21 1 18 10 13 ar 19 10 22 1 20 11 23 1 21 12 13 ar 22 12 24 1 23 13 25 1 24 14 15 ar 25 14 16 ar 26 15 17 ar 27 15 28 1 28 16 18 ar 29 16 29 1 30 17 19 ar 31 17 30 1 32 18 19 ar 33 18 31 1 34 19 32 1