@MOLECULE daledalin 45 47 0 0 0 SMALL GASTEIGER @ATOM 1 N -1.1357 -0.2481 0.4338 N.pl3 1 UNL1111111111 -0.4155 2 N 5.3779 -1.6568 0.0667 N.3 1 UNL1111111111 -0.5264 3 C 0.9217 0.5082 -0.6886 C.3 1 UNL1111111111 0.0708 4 C 0.1326 -0.7498 -0.1780 C.3 1 UNL1111111111 -0.1110 5 C 2.3087 0.5957 -0.0314 C.3 1 UNL1111111111 -0.2900 6 C 0.0579 1.6535 -0.2170 C.ar 1 UNL1111111111 -0.1217 7 C -1.1304 1.1637 0.3756 C.ar 1 UNL1111111111 0.1874 8 C 1.0086 0.5134 -2.2145 C.3 1 UNL1111111111 -0.4564 9 C 3.2290 -0.5686 -0.4059 C.3 1 UNL1111111111 -0.2790 10 C 0.2911 3.0105 -0.2938 C.ar 1 UNL1111111111 -0.1102 11 C -2.3031 -1.0078 0.1922 C.ar 1 UNL1111111111 0.2086 12 C -2.0704 2.0317 0.9216 C.ar 1 UNL1111111111 -0.2404 13 C 4.5474 -0.4707 0.3842 C.3 1 UNL1111111111 -0.1146 14 C -0.6620 3.8900 0.2361 C.ar 1 UNL1111111111 -0.2072 15 C -1.8183 3.4035 0.8396 C.ar 1 UNL1111111111 -0.0948 16 C -3.4797 -0.4447 -0.3224 C.ar 1 UNL1111111111 -0.2516 17 C -2.2699 -2.3725 0.5323 C.ar 1 UNL1111111111 -0.2252 18 C -4.6154 -1.2350 -0.4681 C.ar 1 UNL1111111111 -0.0909 19 C -3.4121 -3.1474 0.3742 C.ar 1 UNL1111111111 -0.0998 20 C -4.5878 -2.5839 -0.1213 C.ar 1 UNL1111111111 -0.2035 21 C 6.6626 -1.6276 0.7941 C.3 1 UNL1111111111 -0.2774 22 H -0.0636 -1.4694 -0.9932 H 1 UNL1111111111 0.1435 23 H 0.6939 -1.2811 0.6191 H 1 UNL1111111111 0.1580 24 H 2.7849 1.5549 -0.3135 H 1 UNL1111111111 0.1437 25 H 2.1830 0.6405 1.0707 H 1 UNL1111111111 0.1530 26 H 1.5699 1.3825 -2.5769 H 1 UNL1111111111 0.1517 27 H 0.0104 0.5628 -2.6682 H 1 UNL1111111111 0.1543 28 H 1.5028 -0.3851 -2.5987 H 1 UNL1111111111 0.1505 29 H 2.7471 -1.5425 -0.1904 H 1 UNL1111111111 0.1559 30 H 3.4334 -0.5681 -1.4918 H 1 UNL1111111111 0.1375 31 H 1.1962 3.3963 -0.7566 H 1 UNL1111111111 0.1499 32 H -2.9632 1.6559 1.4129 H 1 UNL1111111111 0.1699 33 H 4.3369 -0.4843 1.4763 H 1 UNL1111111111 0.1436 34 H 5.0596 0.4891 0.1644 H 1 UNL1111111111 0.1081 35 H -0.4907 4.9613 0.1778 H 1 UNL1111111111 0.1509 36 H -2.5423 4.1011 1.2596 H 1 UNL1111111111 0.1490 37 H -3.5059 0.6003 -0.6221 H 1 UNL1111111111 0.1672 38 H -1.3599 -2.8098 0.9354 H 1 UNL1111111111 0.1634 39 H 5.5396 -1.7244 -0.9366 H 1 UNL1111111111 0.2471 40 H -5.5301 -0.7940 -0.8627 H 1 UNL1111111111 0.1481 41 H -3.3894 -4.2025 0.6439 H 1 UNL1111111111 0.1463 42 H 6.4671 -1.6589 1.8795 H 1 UNL1111111111 0.1477 43 H 7.2902 -0.7501 0.5797 H 1 UNL1111111111 0.1148 44 H 7.2327 -2.5373 0.5410 H 1 UNL1111111111 0.1446 45 H -5.4778 -3.1956 -0.2377 H 1 UNL1111111111 0.1498 @BOND 1 1 4 1 2 1 7 1 3 1 11 1 4 2 13 1 5 2 21 1 6 2 39 1 7 3 4 1 8 3 5 1 9 3 6 1 10 3 8 1 11 4 22 1 12 4 23 1 13 5 9 1 14 5 24 1 15 5 25 1 16 6 7 ar 17 6 10 ar 18 7 12 ar 19 8 26 1 20 8 27 1 21 8 28 1 22 9 13 1 23 9 29 1 24 9 30 1 25 10 14 ar 26 10 31 1 27 11 16 ar 28 11 17 ar 29 12 15 ar 30 12 32 1 31 13 33 1 32 13 34 1 33 14 15 ar 34 14 35 1 35 15 36 1 36 16 18 ar 37 16 37 1 38 17 19 ar 39 17 38 1 40 18 20 ar 41 18 40 1 42 19 20 ar 43 19 41 1 44 20 45 1 45 21 42 1 46 21 43 1 47 21 44 1