@MOLECULE estrofan 58 59 0 0 0 SMALL GASTEIGER @ATOM 1 CL -3.7772 -1.7927 -2.1286 Cl 1 UNL1111111111 -0.0866 2 O 3.6154 -0.4593 -2.9870 O.3 1 UNL1111111111 -0.5570 3 O 4.5489 2.3921 -1.1411 O.3 1 UNL1111111111 -0.5744 4 O 0.3040 4.4611 1.5977 O.3 1 UNL1111111111 -0.5482 5 O -1.6969 1.5861 0.8634 O.3 1 UNL1111111111 -0.3221 6 O -0.5813 -1.5975 4.1509 O.3 1 UNL1111111111 -0.5700 7 O 1.2276 -1.1759 2.9239 O.2 1 UNL1111111111 -0.5208 8 C 2.4556 -0.4571 -0.8429 C.3 1 UNL1111111111 -0.1531 9 C 2.5829 1.0659 -0.6218 C.3 1 UNL1111111111 -0.2094 10 C 3.7474 -0.8039 -1.6274 C.3 1 UNL1111111111 0.1585 11 C 4.1029 1.2856 -0.3791 C.3 1 UNL1111111111 0.1633 12 C 4.8343 0.0655 -0.9686 C.3 1 UNL1111111111 -0.3783 13 C 1.1697 -0.8300 -1.5810 C.3 1 UNL1111111111 -0.2754 14 C 1.7386 1.5512 0.5056 C.2 1 UNL1111111111 -0.1077 15 C 1.0941 -2.3093 -1.7735 C.2 1 UNL1111111111 -0.1425 16 C 0.8299 2.5132 0.3252 C.2 1 UNL1111111111 -0.2449 17 C 0.0225 3.0834 1.4473 C.3 1 UNL1111111111 0.1477 18 C 0.5765 -3.1938 -0.9158 C.2 1 UNL1111111111 -0.1813 19 C -0.0207 -2.8825 0.4170 C.3 1 UNL1111111111 -0.2727 20 C -1.4967 2.9664 1.1816 C.3 1 UNL1111111111 -0.1022 21 C 0.7677 -3.6521 1.4921 C.3 1 UNL1111111111 -0.2474 22 C 0.1987 -3.3993 2.8878 C.3 1 UNL1111111111 -0.3530 23 C -2.8067 1.2950 0.1342 C.ar 1 UNL1111111111 0.2784 24 C 0.3891 -1.9657 3.2691 C.2 1 UNL1111111111 0.6605 25 C -2.7528 0.0508 -0.5122 C.ar 1 UNL1111111111 -0.2818 26 C -3.9247 2.1243 0.0261 C.ar 1 UNL1111111111 -0.3101 27 C -3.8314 -0.2850 -1.3108 C.ar 1 UNL1111111111 0.1016 28 C -4.9789 1.7417 -0.8028 C.ar 1 UNL1111111111 -0.0515 29 C -4.9390 0.5346 -1.4939 C.ar 1 UNL1111111111 -0.2506 30 H 2.4774 -0.9878 0.1398 H 1 UNL1111111111 0.1589 31 H 2.3080 1.5978 -1.5680 H 1 UNL1111111111 0.1624 32 H 3.9680 -1.8862 -1.6589 H 1 UNL1111111111 0.1406 33 H 4.3493 1.4638 0.6842 H 1 UNL1111111111 0.1214 34 H 5.3914 -0.4848 -0.1964 H 1 UNL1111111111 0.1546 35 H 5.5846 0.3924 -1.7186 H 1 UNL1111111111 0.1839 36 H 1.1351 -0.3196 -2.5681 H 1 UNL1111111111 0.1577 37 H 0.2953 -0.4437 -1.0182 H 1 UNL1111111111 0.1493 38 H 1.9021 1.0693 1.4720 H 1 UNL1111111111 0.1654 39 H 3.6325 0.5172 -3.0920 H 1 UNL1111111111 0.3246 40 H 4.1702 3.2252 -0.8001 H 1 UNL1111111111 0.3192 41 H 1.5267 -2.6487 -2.7208 H 1 UNL1111111111 0.1499 42 H 0.6430 2.9648 -0.6465 H 1 UNL1111111111 0.1509 43 H 0.2910 2.6674 2.4450 H 1 UNL1111111111 0.1567 44 H 0.5658 -4.2527 -1.1585 H 1 UNL1111111111 0.1381 45 H -1.0888 -3.1774 0.4291 H 1 UNL1111111111 0.1482 46 H -0.0097 -1.7951 0.6384 H 1 UNL1111111111 0.1552 47 H -2.0816 3.2073 2.0852 H 1 UNL1111111111 0.1408 48 H -1.8015 3.6211 0.3487 H 1 UNL1111111111 0.1355 49 H 1.8320 -3.3488 1.4538 H 1 UNL1111111111 0.1565 50 H 0.7526 -4.7377 1.2761 H 1 UNL1111111111 0.1418 51 H 0.3444 4.9191 0.7331 H 1 UNL1111111111 0.3154 52 H 0.6894 -4.0537 3.6412 H 1 UNL1111111111 0.1751 53 H -0.8801 -3.6722 2.9297 H 1 UNL1111111111 0.1861 54 H -1.8878 -0.5978 -0.3878 H 1 UNL1111111111 0.1914 55 H -3.9840 3.0569 0.5770 H 1 UNL1111111111 0.1675 56 H -0.5431 -0.6465 4.4084 H 1 UNL1111111111 0.3543 57 H -5.8407 2.4027 -0.9111 H 1 UNL1111111111 0.1539 58 H -5.7545 0.2461 -2.1540 H 1 UNL1111111111 0.1754 @BOND 1 1 27 1 2 2 10 1 3 2 39 1 4 3 11 1 5 3 40 1 6 4 17 1 7 4 51 1 8 5 20 1 9 5 23 1 10 6 24 1 11 6 56 1 12 7 24 2 13 8 9 1 14 8 10 1 15 8 13 1 16 8 30 1 17 9 11 1 18 9 14 1 19 9 31 1 20 10 12 1 21 10 32 1 22 11 12 1 23 11 33 1 24 12 34 1 25 12 35 1 26 13 15 1 27 13 36 1 28 13 37 1 29 14 16 2 30 14 38 1 31 15 18 2 32 15 41 1 33 16 17 1 34 16 42 1 35 17 20 1 36 17 43 1 37 18 19 1 38 18 44 1 39 19 21 1 40 19 45 1 41 19 46 1 42 20 47 1 43 20 48 1 44 21 22 1 45 21 49 1 46 21 50 1 47 22 24 1 48 22 52 1 49 22 53 1 50 23 25 ar 51 23 26 ar 52 25 27 ar 53 25 54 1 54 26 28 ar 55 26 55 1 56 27 29 ar 57 28 29 ar 58 28 57 1 59 29 58 1