@MOLECULE atecegatran 53 55 0 0 0 SMALL GASTEIGER @ATOM 1 CL 0.7017 -0.9219 3.4987 Cl 1 UNL1111111111 -0.0524 2 F 4.2192 2.4170 -1.6051 F 1 UNL1111111111 -0.1823 3 F 2.3048 1.7610 -2.1691 F 1 UNL1111111111 -0.2095 4 O -3.5715 -2.6037 -0.7475 O.2 1 UNL1111111111 -0.5334 5 O -2.4637 1.7608 -1.4591 O.2 1 UNL1111111111 -0.5756 6 O -1.7089 3.8095 0.1105 O.3 1 UNL1111111111 -0.5108 7 O 2.9214 1.7433 -0.0334 O.3 1 UNL1111111111 -0.4260 8 N -3.5002 0.7076 0.2311 N.am 1 UNL1111111111 -0.5150 9 N -2.5317 -1.0466 -2.0381 N.am 1 UNL1111111111 -0.5687 10 N 4.3084 -1.0997 0.1646 N.pl3 1 UNL1111111111 -0.7196 11 N 3.6840 -3.2290 1.0430 N.2 1 UNL1111111111 -0.6256 12 C -4.2881 -0.3329 -0.4733 C.3 1 UNL1111111111 0.0194 13 C -4.9244 -0.7256 0.9005 C.3 1 UNL1111111111 -0.2921 14 C -4.0372 0.3683 1.5735 C.3 1 UNL1111111111 -0.0424 15 C -3.4206 -1.4432 -1.0742 C.2 1 UNL1111111111 0.5422 16 C -2.6633 1.6472 -0.2576 C.2 1 UNL1111111111 0.5437 17 C -1.9129 2.5648 0.7213 C.3 1 UNL1111111111 0.0675 18 C -0.6024 1.8874 1.0365 C.ar 1 UNL1111111111 0.0367 19 C -1.5579 -2.0070 -2.5664 C.3 1 UNL1111111111 -0.0796 20 C -0.2681 -1.9801 -1.7845 C.ar 1 UNL1111111111 -0.0211 21 C 0.5346 2.1947 0.2887 C.ar 1 UNL1111111111 -0.2650 22 C -0.5564 0.9367 2.0562 C.ar 1 UNL1111111111 -0.2483 23 C 1.7240 1.5363 0.5924 C.ar 1 UNL1111111111 0.2989 24 C 0.6515 0.2971 2.3093 C.ar 1 UNL1111111111 0.0941 25 C 0.9042 -1.5293 -2.3904 C.ar 1 UNL1111111111 -0.1678 26 C -0.2422 -2.4530 -0.4716 C.ar 1 UNL1111111111 -0.1694 27 C 1.8152 0.5884 1.6188 C.ar 1 UNL1111111111 -0.2578 28 C 2.1102 -1.5836 -1.6967 C.ar 1 UNL1111111111 -0.1240 29 C 0.9602 -2.5032 0.2264 C.ar 1 UNL1111111111 -0.0985 30 C 2.1377 -2.0719 -0.3895 C.ar 1 UNL1111111111 -0.0599 31 C 3.4260 -2.1788 0.3426 C.2 1 UNL1111111111 0.4194 32 C 2.9367 2.4793 -1.2349 C.3 1 UNL1111111111 0.4641 33 H -4.9885 0.0757 -1.2298 H 1 UNL1111111111 0.1690 34 H -4.7102 -1.7570 1.2135 H 1 UNL1111111111 0.1865 35 H -6.0008 -0.5602 0.9679 H 1 UNL1111111111 0.1555 36 H -4.5853 1.1965 2.0470 H 1 UNL1111111111 0.1429 37 H -3.2715 -0.0238 2.2635 H 1 UNL1111111111 0.1489 38 H -2.4973 2.8174 1.6365 H 1 UNL1111111111 0.1709 39 H -2.3375 -0.0581 -2.1929 H 1 UNL1111111111 0.3441 40 H -1.9950 -3.0397 -2.5358 H 1 UNL1111111111 0.1799 41 H -1.3895 -1.7693 -3.6435 H 1 UNL1111111111 0.1518 42 H -1.6472 3.7073 -0.8760 H 1 UNL1111111111 0.3429 43 H 0.4668 2.9331 -0.5064 H 1 UNL1111111111 0.1827 44 H -1.4427 0.6977 2.6391 H 1 UNL1111111111 0.1719 45 H 0.8860 -1.1452 -3.4085 H 1 UNL1111111111 0.1564 46 H -1.1634 -2.8033 -0.0018 H 1 UNL1111111111 0.1729 47 H 2.7626 0.1011 1.8469 H 1 UNL1111111111 0.1978 48 H 3.0319 -1.2639 -2.1840 H 1 UNL1111111111 0.1641 49 H 0.9968 -2.9095 1.2400 H 1 UNL1111111111 0.1772 50 H 2.5480 3.5280 -1.1158 H 1 UNL1111111111 0.1665 51 H 3.9593 -0.2171 -0.1514 H 1 UNL1111111111 0.3122 52 H 5.1605 -1.0626 0.6812 H 1 UNL1111111111 0.2949 53 H 4.5494 -3.3345 1.5362 H 1 UNL1111111111 0.2700 @BOND 1 1 24 1 2 2 32 1 3 3 32 1 4 4 15 2 5 5 16 2 6 6 17 1 7 6 42 1 8 7 23 1 9 7 32 1 10 8 12 1 11 8 14 1 12 8 16 am 13 9 15 am 14 9 19 1 15 9 39 1 16 10 31 1 17 10 51 1 18 10 52 1 19 11 31 2 20 11 53 1 21 12 13 1 22 12 15 1 23 12 33 1 24 13 14 1 25 13 34 1 26 13 35 1 27 14 36 1 28 14 37 1 29 16 17 1 30 17 18 1 31 17 38 1 32 18 21 ar 33 18 22 ar 34 19 20 1 35 19 40 1 36 19 41 1 37 20 25 ar 38 20 26 ar 39 21 23 ar 40 21 43 1 41 22 24 ar 42 22 44 1 43 23 27 ar 44 24 27 ar 45 25 28 ar 46 25 45 1 47 26 29 ar 48 26 46 1 49 27 47 1 50 28 30 ar 51 28 48 1 52 29 30 ar 53 29 49 1 54 30 31 1 55 32 50 1