@MOLECULE asana 52 54 0 0 0 SMALL GASTEIGER @ATOM 1 CL -1.3734 -3.8010 1.1585 Cl 1 UNL1111111111 -0.0947 2 O 1.6142 1.4087 -0.0291 O.3 1 UNL1111111111 -0.4216 3 O 3.7654 1.5173 0.6142 O.2 1 UNL1111111111 -0.4793 4 O -3.0874 1.5663 -1.3098 O.3 1 UNL1111111111 -0.3194 5 N 0.9474 1.3960 3.2542 N.1 1 UNL1111111111 -0.2104 6 C 2.9567 -0.2504 -0.9110 C.3 1 UNL1111111111 -0.2038 7 C 4.3697 -0.8811 -0.9099 C.3 1 UNL1111111111 -0.0440 8 C 1.8922 -1.1876 -0.4037 C.ar 1 UNL1111111111 -0.0017 9 C 4.3402 -2.2185 -1.6553 C.3 1 UNL1111111111 -0.4548 10 C 5.3703 0.0665 -1.5775 C.3 1 UNL1111111111 -0.4632 11 C 2.9089 0.9721 -0.0218 C.2 1 UNL1111111111 0.5985 12 C 0.7519 -1.4143 -1.1788 C.ar 1 UNL1111111111 -0.1407 13 C 2.0118 -1.7770 0.8582 C.ar 1 UNL1111111111 -0.1473 14 C 1.2347 2.4449 0.8744 C.3 1 UNL1111111111 0.1426 15 C -0.2712 -2.2288 -0.6988 C.ar 1 UNL1111111111 -0.1618 16 C 0.9963 -2.5915 1.3513 C.ar 1 UNL1111111111 -0.1543 17 C -0.1011 2.9082 0.3475 C.ar 1 UNL1111111111 0.0050 18 C -0.1235 -2.7999 0.5573 C.ar 1 UNL1111111111 0.0258 19 C -0.9756 1.9563 -0.1733 C.ar 1 UNL1111111111 -0.2305 20 C -0.4428 4.2586 0.3726 C.ar 1 UNL1111111111 -0.1967 21 C -2.1988 2.3945 -0.6747 C.ar 1 UNL1111111111 0.2306 22 C 1.0788 1.8649 2.2070 C.1 1 UNL1111111111 0.0663 23 C -1.6784 4.6689 -0.1320 C.ar 1 UNL1111111111 -0.0921 24 C -2.5703 3.7427 -0.6617 C.ar 1 UNL1111111111 -0.2104 25 C -3.2371 0.2846 -0.8291 C.ar 1 UNL1111111111 0.2231 26 C -3.5305 -0.6585 -1.8162 C.ar 1 UNL1111111111 -0.2275 27 C -3.2188 -0.0297 0.5284 C.ar 1 UNL1111111111 -0.2531 28 C -3.8452 -1.9531 -1.4139 C.ar 1 UNL1111111111 -0.1081 29 C -3.5317 -1.3334 0.9052 C.ar 1 UNL1111111111 -0.0797 30 C -3.8546 -2.2881 -0.0598 C.ar 1 UNL1111111111 -0.1888 31 H 2.7190 0.0726 -1.9616 H 1 UNL1111111111 0.1869 32 H 4.6894 -1.0563 0.1471 H 1 UNL1111111111 0.1468 33 H 3.6643 -2.9360 -1.1736 H 1 UNL1111111111 0.1533 34 H 4.0080 -2.1000 -2.6920 H 1 UNL1111111111 0.1469 35 H 5.3354 -2.6770 -1.6804 H 1 UNL1111111111 0.1488 36 H 5.0982 0.2901 -2.6135 H 1 UNL1111111111 0.1434 37 H 6.3756 -0.3706 -1.5912 H 1 UNL1111111111 0.1499 38 H 5.4473 1.0189 -1.0351 H 1 UNL1111111111 0.1640 39 H 0.6500 -0.9476 -2.1584 H 1 UNL1111111111 0.1630 40 H 2.8963 -1.5919 1.4687 H 1 UNL1111111111 0.1654 41 H 2.0178 3.2498 0.8673 H 1 UNL1111111111 0.1811 42 H -1.1700 -2.3967 -1.2950 H 1 UNL1111111111 0.1781 43 H 1.0822 -3.0418 2.3406 H 1 UNL1111111111 0.1756 44 H -0.7056 0.8989 -0.2016 H 1 UNL1111111111 0.1898 45 H 0.2441 4.9956 0.7823 H 1 UNL1111111111 0.1593 46 H -1.9469 5.7251 -0.1092 H 1 UNL1111111111 0.1546 47 H -3.5360 4.0447 -1.0608 H 1 UNL1111111111 0.1748 48 H -3.5244 -0.3727 -2.8643 H 1 UNL1111111111 0.1705 49 H -2.9777 0.7234 1.2743 H 1 UNL1111111111 0.1727 50 H -4.0897 -2.7068 -2.1610 H 1 UNL1111111111 0.1501 51 H -3.5263 -1.6063 1.9611 H 1 UNL1111111111 0.1589 52 H -4.1167 -3.2995 0.2450 H 1 UNL1111111111 0.1582 @BOND 1 1 18 1 2 2 11 1 3 2 14 1 4 3 11 2 5 4 21 1 6 4 25 1 7 5 22 3 8 6 7 1 9 6 8 1 10 6 11 1 11 6 31 1 12 7 9 1 13 7 10 1 14 7 32 1 15 8 12 ar 16 8 13 ar 17 9 33 1 18 9 34 1 19 9 35 1 20 10 36 1 21 10 37 1 22 10 38 1 23 12 15 ar 24 12 39 1 25 13 16 ar 26 13 40 1 27 14 17 1 28 14 22 1 29 14 41 1 30 15 18 ar 31 15 42 1 32 16 18 ar 33 16 43 1 34 17 19 ar 35 17 20 ar 36 19 21 ar 37 19 44 1 38 20 23 ar 39 20 45 1 40 21 24 ar 41 23 24 ar 42 23 46 1 43 24 47 1 44 25 26 ar 45 25 27 ar 46 26 28 ar 47 26 48 1 48 27 29 ar 49 27 49 1 50 28 30 ar 51 28 50 1 52 29 30 ar 53 29 51 1 54 30 52 1