@MOLECULE 4-(2,3-dihydro-4h-naphtho[2,3-b][1,4]oxazin-4-ylmethyl)-1,5-dimethyl-2-phenyl-1,2-dihydro-3h-pyrazol-3-one 52 56 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.4137 -2.0563 -2.3817 O.3 1 UNL1111111111 -0.3138 2 O 2.1455 -2.0198 -0.2030 O.2 1 UNL1111111111 -0.4841 3 N -1.1740 -2.5809 0.4302 N.pl3 1 UNL1111111111 -0.3995 4 N 1.6158 0.7272 1.8515 N.ar 1 UNL1111111111 -0.2156 5 N 2.4182 -0.0009 0.9070 N.ar 1 UNL1111111111 -0.3697 6 C -0.3205 -2.4667 1.6339 C.3 1 UNL1111111111 -0.0361 7 C 0.6437 -1.3422 1.6053 C.ar 1 UNL1111111111 -0.3415 8 C -0.6720 -3.5131 -0.5989 C.3 1 UNL1111111111 -0.1303 9 C -1.7355 -1.3824 -0.0508 C.ar 1 UNL1111111111 0.1407 10 C 0.6612 -0.2006 2.3590 C.ar 1 UNL1111111111 0.2501 11 C -0.3066 -2.8206 -1.9137 C.3 1 UNL1111111111 -0.0834 12 C -1.8686 -1.1551 -1.4641 C.ar 1 UNL1111111111 0.1624 13 C 1.7407 -1.2626 0.6377 C.ar 1 UNL1111111111 0.5831 14 C -2.2717 -0.4434 0.8074 C.ar 1 UNL1111111111 -0.2537 15 C -2.9127 0.7225 0.3111 C.ar 1 UNL1111111111 0.0079 16 C -2.4835 -0.0392 -1.9710 C.ar 1 UNL1111111111 -0.2245 17 C -3.0224 0.9282 -1.0814 C.ar 1 UNL1111111111 -0.0030 18 C -0.1920 0.1918 3.4967 C.3 1 UNL1111111111 -0.4584 19 C 2.9302 0.7656 -0.1849 C.ar 1 UNL1111111111 0.1779 20 C 2.4542 1.4539 2.8224 C.3 1 UNL1111111111 -0.2568 21 C -3.4474 1.6957 1.1990 C.ar 1 UNL1111111111 -0.1568 22 C -3.6633 2.0999 -1.5643 C.ar 1 UNL1111111111 -0.1335 23 C 3.9053 0.1447 -0.9802 C.ar 1 UNL1111111111 -0.1784 24 C 2.5297 2.0820 -0.4422 C.ar 1 UNL1111111111 -0.2056 25 C -4.0613 2.8212 0.7091 C.ar 1 UNL1111111111 -0.1516 26 C -4.1707 3.0260 -0.6874 C.ar 1 UNL1111111111 -0.1649 27 C 4.4886 0.8615 -2.0192 C.ar 1 UNL1111111111 -0.1167 28 C 3.1328 2.7850 -1.4812 C.ar 1 UNL1111111111 -0.1159 29 C 4.1133 2.1818 -2.2661 C.ar 1 UNL1111111111 -0.1783 30 H -1.0139 -2.3726 2.5076 H 1 UNL1111111111 0.1479 31 H 0.2191 -3.4345 1.7844 H 1 UNL1111111111 0.1554 32 H -1.4992 -4.2447 -0.7738 H 1 UNL1111111111 0.1568 33 H 0.2033 -4.0883 -0.2261 H 1 UNL1111111111 0.1547 34 H 0.5689 -2.1513 -1.8205 H 1 UNL1111111111 0.1600 35 H -0.1424 -3.5359 -2.7385 H 1 UNL1111111111 0.1502 36 H -2.2274 -0.5873 1.8820 H 1 UNL1111111111 0.1572 37 H -2.5583 0.1091 -3.0453 H 1 UNL1111111111 0.1763 38 H 0.3887 0.3468 4.4197 H 1 UNL1111111111 0.1693 39 H -0.9571 -0.5683 3.7253 H 1 UNL1111111111 0.1757 40 H -0.7311 1.1349 3.2868 H 1 UNL1111111111 0.1885 41 H 3.1962 2.0710 2.2794 H 1 UNL1111111111 0.1718 42 H 3.0096 0.7944 3.5087 H 1 UNL1111111111 0.1470 43 H 1.8048 2.1336 3.4004 H 1 UNL1111111111 0.1590 44 H -3.3639 1.5285 2.2692 H 1 UNL1111111111 0.1405 45 H -3.7427 2.2471 -2.6396 H 1 UNL1111111111 0.1509 46 H 4.1906 -0.8912 -0.7894 H 1 UNL1111111111 0.1830 47 H 1.7416 2.5461 0.1491 H 1 UNL1111111111 0.1739 48 H -4.4726 3.5685 1.3828 H 1 UNL1111111111 0.1391 49 H -4.6626 3.9246 -1.0500 H 1 UNL1111111111 0.1428 50 H 5.2430 0.3848 -2.6433 H 1 UNL1111111111 0.1513 51 H 2.8286 3.8106 -1.6832 H 1 UNL1111111111 0.1493 52 H 4.5811 2.7373 -3.0757 H 1 UNL1111111111 0.1494 @BOND 1 1 11 1 2 1 12 1 3 2 13 2 4 3 6 1 5 3 8 1 6 3 9 1 7 4 5 ar 8 4 10 ar 9 4 20 1 10 5 13 ar 11 5 19 1 12 6 7 1 13 6 30 1 14 6 31 1 15 7 10 ar 16 7 13 ar 17 8 11 1 18 8 32 1 19 8 33 1 20 9 12 ar 21 9 14 ar 22 10 18 1 23 11 34 1 24 11 35 1 25 12 16 ar 26 14 15 ar 27 14 36 1 28 15 17 ar 29 15 21 ar 30 16 17 ar 31 16 37 1 32 17 22 ar 33 18 38 1 34 18 39 1 35 18 40 1 36 19 23 ar 37 19 24 ar 38 20 41 1 39 20 42 1 40 20 43 1 41 21 25 ar 42 21 44 1 43 22 26 ar 44 22 45 1 45 23 27 ar 46 23 46 1 47 24 28 ar 48 24 47 1 49 25 26 ar 50 25 48 1 51 26 49 1 52 27 29 ar 53 27 50 1 54 28 29 ar 55 28 51 1 56 29 52 1