@MOLECULE (+)-lythrine 61 65 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.0870 0.1161 -1.2498 O.3 1 UNL11 -0.4310 2 O 4.3139 1.3974 -1.0786 O.3 1 UNL11 -0.3400 3 O 4.7482 -1.3906 -0.4479 O.3 1 UNL11 -0.3333 4 O -2.6147 -1.0844 -3.0866 O.2 1 UNL11 -0.5187 5 O 1.0466 -1.9284 2.8845 O.3 1 UNL11 -0.4656 6 N -0.6264 2.1676 0.3359 N.3 1 UNL11 -0.4353 7 C -2.0947 2.4491 0.4243 C.3 1 UNL11 0.0637 8 C -0.4633 0.8242 -0.2958 C.3 1 UNL11 0.0252 9 C -2.7484 2.4419 -0.9789 C.3 1 UNL11 -0.3327 10 C -2.3075 3.8457 1.0493 C.3 1 UNL11 -0.2911 11 C -2.3768 1.2305 -1.8344 C.3 1 UNL11 0.1435 12 C -0.8776 0.9619 -1.7760 C.3 1 UNL11 -0.3291 13 C -0.0209 2.1772 1.6945 C.3 1 UNL11 -0.1114 14 C -1.6822 3.9082 2.4457 C.3 1 UNL11 -0.2654 15 C -0.1943 3.5638 2.3363 C.3 1 UNL11 -0.2730 16 C 0.9439 0.2819 -0.2582 C.ar 1 UNL11 -0.0284 17 C 1.1795 -1.0446 0.1396 C.ar 1 UNL11 -0.0272 18 C 2.0065 1.0752 -0.6900 C.ar 1 UNL11 -0.1706 19 C 2.4697 -1.5757 0.0911 C.ar 1 UNL11 -0.2116 20 C 0.0783 -1.8559 0.6652 C.ar 1 UNL11 -0.1736 21 C 3.2943 0.5473 -0.7314 C.ar 1 UNL11 0.1254 22 C -3.1129 -1.0206 -1.9879 C.2 1 UNL11 0.6156 23 C 3.5287 -0.7778 -0.3381 C.ar 1 UNL11 0.1360 24 C -1.0176 -2.1882 -0.1351 C.ar 1 UNL11 -0.0583 25 C 0.0374 -2.1941 2.0242 C.ar 1 UNL11 0.3077 26 C -3.8513 -2.1091 -1.3280 C.2 1 UNL11 -0.2763 27 C -2.1772 -2.7171 0.4320 C.ar 1 UNL11 -0.1121 28 C -3.4156 -2.8763 -0.3219 C.2 1 UNL11 -0.0490 29 C -1.0825 -2.8129 2.5960 C.ar 1 UNL11 -0.2520 30 C -2.1876 -3.0541 1.7973 C.ar 1 UNL11 -0.0716 31 C 4.8694 1.0894 -2.3569 C.3 1 UNL11 -0.1984 32 C 5.7554 -0.8121 0.3796 C.3 1 UNL11 -0.1998 33 H -2.6078 1.6781 1.0576 H 1 UNL11 0.1206 34 H -1.1687 0.1044 0.2099 H 1 UNL11 0.1494 35 H -3.8474 2.4951 -0.8591 H 1 UNL11 0.1526 36 H -2.4424 3.3547 -1.5300 H 1 UNL11 0.1600 37 H -3.3856 4.0755 1.0951 H 1 UNL11 0.1316 38 H -1.8452 4.6150 0.4004 H 1 UNL11 0.1507 39 H -2.7368 1.3467 -2.8820 H 1 UNL11 0.1394 40 H -0.3232 1.7983 -2.2467 H 1 UNL11 0.1702 41 H -0.6084 0.0540 -2.3485 H 1 UNL11 0.1696 42 H 1.0648 1.9592 1.5856 H 1 UNL11 0.1431 43 H -0.4482 1.3939 2.3562 H 1 UNL11 0.1163 44 H -2.1925 3.2065 3.1305 H 1 UNL11 0.1358 45 H -1.8159 4.9141 2.8823 H 1 UNL11 0.1319 46 H 0.3249 4.3229 1.7187 H 1 UNL11 0.1506 47 H 0.2892 3.5811 3.3281 H 1 UNL11 0.1322 48 H 1.8310 2.1111 -0.9919 H 1 UNL11 0.1909 49 H 2.6569 -2.6139 0.3656 H 1 UNL11 0.1797 50 H -0.9665 -1.9960 -1.2110 H 1 UNL11 0.1737 51 H -4.8243 -2.2869 -1.7976 H 1 UNL11 0.1793 52 H -4.0535 -3.7011 0.0278 H 1 UNL11 0.1538 53 H -1.0721 -3.0701 3.6521 H 1 UNL11 0.1749 54 H -3.0818 -3.4971 2.2364 H 1 UNL11 0.1506 55 H 5.6513 1.8491 -2.4683 H 1 UNL11 0.1438 56 H 4.1085 1.1966 -3.1361 H 1 UNL11 0.1338 57 H 5.2979 0.0813 -2.3658 H 1 UNL11 0.1422 58 H 1.8077 -1.4637 2.4445 H 1 UNL11 0.3402 59 H 6.6375 -1.4157 0.1347 H 1 UNL11 0.1455 60 H 5.4881 -0.9258 1.4340 H 1 UNL11 0.1292 61 H 5.9228 0.2414 0.1315 H 1 UNL11 0.1470 @BOND 1 1 11 1 2 1 22 1 3 2 21 1 4 2 31 1 5 3 23 1 6 3 32 1 7 4 22 2 8 5 25 1 9 5 58 1 10 6 7 1 11 6 13 1 12 7 9 1 13 7 10 1 14 7 33 1 15 8 6 1 16 8 12 1 17 8 16 1 18 8 34 1 19 9 11 1 20 9 35 1 21 9 36 1 22 10 14 1 23 10 37 1 24 10 38 1 25 11 12 1 26 11 39 1 27 12 40 1 28 12 41 1 29 13 15 1 30 13 42 1 31 13 43 1 32 14 15 1 33 14 44 1 34 14 45 1 35 15 46 1 36 15 47 1 37 16 17 ar 38 16 18 ar 39 17 19 ar 40 17 20 1 41 18 21 ar 42 18 48 1 43 19 23 ar 44 19 49 1 45 20 24 ar 46 20 25 ar 47 21 23 ar 48 22 26 1 49 24 27 ar 50 24 50 1 51 25 29 ar 52 26 28 2 53 26 51 1 54 27 28 1 55 27 30 ar 56 28 52 1 57 29 30 ar 58 29 53 1 59 30 54 1 60 31 55 1 61 31 56 1 62 31 57 1 63 32 59 1 64 32 60 1 65 32 61 1