@MOLECULE etofamide 48 49 0 0 0 SMALL GASTEIGER @ATOM 1 CL 3.2148 2.8043 1.2005 Cl 1 UNL1111111111 -0.0311 2 CL 3.9724 1.5045 -1.2343 Cl 1 UNL1111111111 -0.1004 3 O 5.7674 -2.5816 0.1091 O.3 1 UNL1111111111 -0.3910 4 O -2.8248 1.4194 -0.5522 O.3 1 UNL1111111111 -0.3056 5 O 3.7986 0.1792 2.0078 O.2 1 UNL1111111111 -0.4696 6 O -7.9314 -2.0699 0.3160 O.2 1 UNL1111111111 -0.4078 7 O -8.7006 -0.1001 0.7133 O.2 1 UNL1111111111 -0.4038 8 N 2.9431 -1.0631 0.3375 N.am 1 UNL1111111111 -0.4959 9 N -7.7933 -0.8605 0.4149 N.pl3 1 UNL1111111111 0.6367 10 C 2.1491 -1.2072 -0.8859 C.3 1 UNL1111111111 -0.0762 11 C 3.4891 -2.2920 0.9306 C.3 1 UNL1111111111 -0.1120 12 C 0.8011 -0.5411 -0.7822 C.ar 1 UNL1111111111 -0.0830 13 C 4.4462 -3.0432 -0.0183 C.3 1 UNL1111111111 -0.0626 14 C 3.2584 0.1440 0.9220 C.2 1 UNL1111111111 0.5374 15 C 0.3397 0.2327 -1.8503 C.ar 1 UNL1111111111 -0.1300 16 C 0.0186 -0.7069 0.3632 C.ar 1 UNL1111111111 -0.1049 17 C -1.6625 0.6736 -0.6234 C.ar 1 UNL1111111111 0.1972 18 C -0.9058 0.8489 -1.7809 C.ar 1 UNL1111111111 -0.1929 19 C -1.2259 -0.0927 0.4553 C.ar 1 UNL1111111111 -0.2179 20 C 2.9094 1.4215 0.1755 C.3 1 UNL1111111111 -0.1190 21 C 6.0947 -1.4211 -0.6518 C.3 1 UNL1111111111 -0.0197 22 C -3.9914 0.7642 -0.3010 C.ar 1 UNL1111111111 0.2958 23 C 6.6516 -0.3911 0.3205 C.3 1 UNL1111111111 -0.4772 24 C -4.1678 -0.6163 -0.4242 C.ar 1 UNL1111111111 -0.3088 25 C -5.0425 1.6284 0.0475 C.ar 1 UNL1111111111 -0.2588 26 C -6.4808 -0.2985 0.1651 C.ar 1 UNL1111111111 -0.1535 27 C -5.4280 -1.1499 -0.1878 C.ar 1 UNL1111111111 -0.0087 28 C -6.2954 1.0874 0.2808 C.ar 1 UNL1111111111 -0.0183 29 H 1.9861 -2.2966 -1.0932 H 1 UNL1111111111 0.1645 30 H 2.7246 -0.8252 -1.7640 H 1 UNL1111111111 0.1556 31 H 4.0535 -2.0353 1.8673 H 1 UNL1111111111 0.1992 32 H 2.6494 -2.9529 1.2377 H 1 UNL1111111111 0.1392 33 H 4.5441 -4.1010 0.3049 H 1 UNL1111111111 0.1464 34 H 4.1137 -3.0236 -1.0677 H 1 UNL1111111111 0.1176 35 H 0.9521 0.3593 -2.7447 H 1 UNL1111111111 0.1658 36 H 0.3897 -1.3105 1.1947 H 1 UNL1111111111 0.1731 37 H -1.2849 1.4590 -2.5992 H 1 UNL1111111111 0.1794 38 H -1.8399 -0.1965 1.3486 H 1 UNL1111111111 0.1794 39 H 1.8590 1.4923 -0.1748 H 1 UNL1111111111 0.1955 40 H 6.8644 -1.7748 -1.3641 H 1 UNL1111111111 0.1237 41 H 5.2342 -1.0356 -1.2174 H 1 UNL1111111111 0.1134 42 H 6.8895 0.5516 -0.1821 H 1 UNL1111111111 0.1518 43 H 7.5612 -0.7592 0.8108 H 1 UNL1111111111 0.1582 44 H 5.9352 -0.1717 1.1258 H 1 UNL1111111111 0.1745 45 H -3.3410 -1.2630 -0.7102 H 1 UNL1111111111 0.1810 46 H -4.8596 2.6993 0.1289 H 1 UNL1111111111 0.1882 47 H -5.6002 -2.2293 -0.2779 H 1 UNL1111111111 0.1864 48 H -7.1394 1.7316 0.5566 H 1 UNL1111111111 0.1886 @BOND 1 1 20 1 2 2 20 1 3 3 13 1 4 3 21 1 5 4 17 1 6 4 22 1 7 5 14 2 8 6 9 2 9 7 9 2 10 8 10 1 11 8 11 1 12 8 14 am 13 9 26 1 14 10 12 1 15 10 29 1 16 10 30 1 17 11 13 1 18 11 31 1 19 11 32 1 20 12 15 ar 21 12 16 ar 22 13 33 1 23 13 34 1 24 14 20 1 25 15 18 ar 26 15 35 1 27 16 19 ar 28 16 36 1 29 17 18 ar 30 17 19 ar 31 18 37 1 32 19 38 1 33 20 39 1 34 21 23 1 35 21 40 1 36 21 41 1 37 22 24 ar 38 22 25 ar 39 23 42 1 40 23 43 1 41 23 44 1 42 24 27 ar 43 24 45 1 44 25 28 ar 45 25 46 1 46 26 27 ar 47 26 28 ar 48 27 47 1 49 28 48 1