@MOLECULE cephalotaxine 44 48 0 0 0 SMALL USER_CHARGES @ATOM 1 O 1.5299 2.4556 1.3256 O.3 1 UNL111111111 -0.5365 2 O 4.0683 1.7612 -0.0784 O.2 1 UNL111111111 -0.2872 3 O -3.6212 1.8351 -1.0688 O.3 1 UNL111111111 -0.3402 4 O -4.7648 0.0491 -0.0352 O.3 1 UNL111111111 -0.3421 5 N 1.5584 -2.2245 0.4471 N.3 1 UNL111111111 -0.4242 6 C 1.5512 -0.8773 -0.1885 C.3 1 UNL111111111 0.2225 7 C 0.7921 0.2316 0.6148 C.3 1 UNL111111111 -0.2066 8 C 1.0647 -1.1053 -1.6513 C.3 1 UNL111111111 -0.3142 9 C 1.5456 1.5463 0.2613 C.3 1 UNL111111111 0.1191 10 C 2.0944 -3.0965 -0.6482 C.3 1 UNL111111111 -0.1216 11 C 1.5870 -2.5125 -1.9952 C.3 1 UNL111111111 -0.2977 12 C 2.9584 -0.3002 -0.2569 C.2 1 UNL111111111 -0.2937 13 C -0.6835 0.1968 0.4303 C.ar 1 UNL111111111 -0.0173 14 C 0.2267 -2.7696 0.8383 C.3 1 UNL111111111 -0.1022 15 C 2.9374 1.0262 -0.0496 C.2 1 UNL111111111 0.1060 16 C -0.5839 -1.8899 1.8065 C.3 1 UNL111111111 -0.2898 17 C -1.3647 -0.8626 1.0459 C.ar 1 UNL111111111 -0.0100 18 C -1.3699 1.1729 -0.3153 C.ar 1 UNL111111111 -0.1907 19 C -2.7619 -1.0036 0.9462 C.ar 1 UNL111111111 -0.2084 20 C -2.7318 1.0236 -0.4057 C.ar 1 UNL111111111 0.1237 21 C -3.4172 -0.0449 0.2131 C.ar 1 UNL111111111 0.1272 22 C 3.8822 3.1673 -0.2229 C.3 1 UNL111111111 -0.2069 23 C -4.9176 1.2378 -0.8434 C.3 1 UNL111111111 0.1574 24 H 1.0124 0.0413 1.7065 H 1 UNL111111111 0.1797 25 H 1.4524 -0.3377 -2.3343 H 1 UNL111111111 0.1485 26 H -0.0340 -1.0543 -1.7106 H 1 UNL111111111 0.1519 27 H 1.0964 2.1250 -0.5719 H 1 UNL111111111 0.1599 28 H 1.8064 -4.1514 -0.5116 H 1 UNL111111111 0.1296 29 H 3.2013 -3.0605 -0.5859 H 1 UNL111111111 0.1467 30 H 0.7948 -3.1385 -2.4302 H 1 UNL111111111 0.1360 31 H 2.3988 -2.4712 -2.7366 H 1 UNL111111111 0.1418 32 H 3.8047 -0.9211 -0.4667 H 1 UNL111111111 0.1743 33 H 0.4474 -3.7383 1.3480 H 1 UNL111111111 0.1382 34 H -0.4069 -3.0015 -0.0469 H 1 UNL111111111 0.1276 35 H 0.0906 -1.4183 2.5533 H 1 UNL111111111 0.1677 36 H -1.2549 -2.5385 2.4055 H 1 UNL111111111 0.1504 37 H -0.8583 2.0073 -0.7852 H 1 UNL111111111 0.1791 38 H 1.9083 2.0608 2.1396 H 1 UNL111111111 0.3209 39 H -3.2884 -1.8235 1.4227 H 1 UNL111111111 0.1756 40 H 4.9142 3.5310 -0.2976 H 1 UNL111111111 0.1436 41 H 3.3857 3.5902 0.6577 H 1 UNL111111111 0.1520 42 H 3.3246 3.3966 -1.1344 H 1 UNL111111111 0.1309 43 H -5.3194 0.9303 -1.8184 H 1 UNL111111111 0.1392 44 H -5.5231 1.9554 -0.2729 H 1 UNL111111111 0.1402 @BOND 1 31 11 1 2 30 11 1 3 25 8 1 4 11 8 1 5 11 10 1 6 43 23 1 7 26 8 1 8 8 6 1 9 42 22 1 10 3 23 1 11 3 20 1 12 23 44 1 13 23 4 1 14 37 18 1 15 10 29 1 16 10 28 1 17 10 5 1 18 27 9 1 19 32 12 1 20 20 18 ar 21 20 21 ar 22 18 13 ar 23 40 22 1 24 12 6 1 25 12 15 2 26 22 2 1 27 22 41 1 28 6 5 1 29 6 7 1 30 2 15 1 31 15 9 1 32 34 14 1 33 4 21 1 34 21 19 ar 35 9 7 1 36 9 1 1 37 13 7 1 38 13 17 ar 39 5 14 1 40 7 24 1 41 14 33 1 42 14 16 1 43 19 17 ar 44 19 39 1 45 17 16 1 46 1 38 1 47 16 36 1 48 16 35 1