@MOLECULE oxethazine 75 76 0 0 0 SMALL GASTEIGER @ATOM 1 O -4.3772 -0.6945 0.1756 O.2 1 UNL11 -0.5876 2 O 0.5406 -1.2486 0.9441 O.2 1 UNL11 -0.5075 3 O -3.2960 -1.1608 3.0253 O.3 1 UNL11 -0.5693 4 N -2.9914 0.2257 -1.3740 N.am 1 UNL11 -0.4942 5 N 1.5172 -2.1311 -0.9099 N.am 1 UNL11 -0.5483 6 N -1.8554 -2.3871 0.3251 N.3 1 UNL11 -0.4174 7 C -3.6752 1.5473 -1.2858 C.3 1 UNL11 0.3221 8 C 2.5428 -1.0455 -0.9530 C.3 1 UNL11 0.3321 9 C -3.5260 2.1760 0.1290 C.3 1 UNL11 -0.3547 10 C 3.3800 -1.0727 0.3598 C.3 1 UNL11 -0.3606 11 C -5.1763 1.3389 -1.5817 C.3 1 UNL11 -0.4859 12 C -3.1234 2.5060 -2.3598 C.3 1 UNL11 -0.4853 13 C 3.4656 -1.2361 -2.1735 C.3 1 UNL11 -0.4901 14 C 1.8129 0.2971 -1.1266 C.3 1 UNL11 -0.4876 15 C -2.8087 -2.2121 -0.7814 C.3 1 UNL11 -0.1917 16 C -0.6288 -3.1006 -0.0602 C.3 1 UNL11 -0.1873 17 C -3.4293 -0.8158 -0.5806 C.2 1 UNL11 0.6036 18 C 0.5221 -2.0863 0.0717 C.2 1 UNL11 0.5817 19 C -2.1074 2.4217 0.5309 C.ar 1 UNL11 0.0204 20 C 4.4864 -0.0687 0.3482 C.ar 1 UNL11 0.0287 21 C -1.6001 0.2321 -1.8442 C.3 1 UNL11 -0.2446 22 C 1.9217 -3.4311 -1.4572 C.3 1 UNL11 -0.2297 23 C -2.4822 -2.9105 1.5585 C.3 1 UNL11 -0.1561 24 C -1.3968 1.4376 1.2220 C.ar 1 UNL11 -0.1652 25 C 5.7685 -0.4347 -0.0689 C.ar 1 UNL11 -0.1903 26 C -1.4870 3.6381 0.2354 C.ar 1 UNL11 -0.1969 27 C 4.2439 1.2436 0.7634 C.ar 1 UNL11 -0.1743 28 C -2.1584 -1.9294 2.7070 C.3 1 UNL11 0.0037 29 C -0.0788 1.6624 1.6085 C.ar 1 UNL11 -0.1185 30 C 6.7928 0.5092 -0.0897 C.ar 1 UNL11 -0.1346 31 C -0.1647 3.8582 0.6146 C.ar 1 UNL11 -0.1465 32 C 5.2685 2.1857 0.7375 C.ar 1 UNL11 -0.1314 33 C 0.5411 2.8729 1.3018 C.ar 1 UNL11 -0.1730 34 C 6.5437 1.8213 0.3081 C.ar 1 UNL11 -0.1709 35 H -4.1106 3.1167 0.1611 H 1 UNL11 0.1573 36 H -4.0245 1.5071 0.8690 H 1 UNL11 0.1858 37 H 2.7012 -0.8830 1.2244 H 1 UNL11 0.1936 38 H 3.7728 -2.0934 0.5242 H 1 UNL11 0.1462 39 H -5.6815 0.7858 -0.7763 H 1 UNL11 0.1838 40 H -5.3211 0.7662 -2.5030 H 1 UNL11 0.1516 41 H -5.6936 2.2955 -1.6917 H 1 UNL11 0.1456 42 H -3.1679 2.0549 -3.3565 H 1 UNL11 0.1530 43 H -3.7146 3.4280 -2.3889 H 1 UNL11 0.1523 44 H -2.0865 2.8020 -2.1660 H 1 UNL11 0.1577 45 H 2.8901 -1.3394 -3.0991 H 1 UNL11 0.1552 46 H 4.1158 -0.3581 -2.2927 H 1 UNL11 0.1646 47 H 4.1268 -2.1001 -2.0757 H 1 UNL11 0.1434 48 H 2.5287 1.1194 -1.2382 H 1 UNL11 0.1577 49 H 1.1745 0.2881 -2.0149 H 1 UNL11 0.1496 50 H 1.1794 0.5400 -0.2596 H 1 UNL11 0.1866 51 H -2.3216 -2.2939 -1.7742 H 1 UNL11 0.1538 52 H -3.6390 -2.9546 -0.7818 H 1 UNL11 0.1521 53 H -0.4052 -3.9583 0.6136 H 1 UNL11 0.1525 54 H -0.6845 -3.5101 -1.0906 H 1 UNL11 0.1461 55 H -1.5782 0.2134 -2.9459 H 1 UNL11 0.1414 56 H -1.0206 -0.6267 -1.4631 H 1 UNL11 0.1613 57 H -1.0579 1.1284 -1.4845 H 1 UNL11 0.1627 58 H 1.8587 -3.4046 -2.5609 H 1 UNL11 0.1487 59 H 1.2881 -4.2584 -1.1065 H 1 UNL11 0.1340 60 H 2.9587 -3.6878 -1.1735 H 1 UNL11 0.1424 61 H -2.1447 -3.9339 1.8102 H 1 UNL11 0.1208 62 H -3.5919 -2.9698 1.4509 H 1 UNL11 0.1644 63 H -1.8728 0.4825 1.4550 H 1 UNL11 0.1732 64 H 5.9689 -1.4570 -0.3782 H 1 UNL11 0.1463 65 H -2.0380 4.4165 -0.2846 H 1 UNL11 0.1441 66 H 3.2489 1.5268 1.1072 H 1 UNL11 0.1629 67 H -1.9298 -2.4524 3.6506 H 1 UNL11 0.1292 68 H -1.3222 -1.2484 2.4435 H 1 UNL11 0.1585 69 H 0.4642 0.8818 2.1447 H 1 UNL11 0.1664 70 H 7.7893 0.2199 -0.4162 H 1 UNL11 0.1450 71 H 0.3142 4.8048 0.3789 H 1 UNL11 0.1391 72 H 5.0740 3.2082 1.0555 H 1 UNL11 0.1487 73 H 1.5684 3.0521 1.6057 H 1 UNL11 0.1423 74 H 7.3433 2.5572 0.2878 H 1 UNL11 0.1466 75 H -3.7141 -0.8129 2.2031 H 1 UNL11 0.3406 @BOND 1 1 17 2 2 2 18 2 3 3 28 1 4 3 75 1 5 4 7 1 6 4 17 am 7 4 21 1 8 5 8 1 9 5 18 am 10 5 22 1 11 6 15 1 12 6 16 1 13 6 23 1 14 7 9 1 15 7 11 1 16 7 12 1 17 8 10 1 18 8 13 1 19 8 14 1 20 9 19 1 21 9 35 1 22 9 36 1 23 10 20 1 24 10 37 1 25 10 38 1 26 11 39 1 27 11 40 1 28 11 41 1 29 12 42 1 30 12 43 1 31 12 44 1 32 13 45 1 33 13 46 1 34 13 47 1 35 14 48 1 36 14 49 1 37 14 50 1 38 15 17 1 39 15 51 1 40 15 52 1 41 16 18 1 42 16 53 1 43 16 54 1 44 19 24 ar 45 19 26 ar 46 20 25 ar 47 20 27 ar 48 21 55 1 49 21 56 1 50 21 57 1 51 22 58 1 52 22 59 1 53 22 60 1 54 23 28 1 55 23 61 1 56 23 62 1 57 24 29 ar 58 24 63 1 59 25 30 ar 60 25 64 1 61 26 31 ar 62 26 65 1 63 27 32 ar 64 27 66 1 65 28 67 1 66 28 68 1 67 29 33 ar 68 29 69 1 69 30 34 ar 70 30 70 1 71 31 33 ar 72 31 71 1 73 32 34 ar 74 32 72 1 75 33 73 1 76 34 74 1