@MOLECULE 1-[(s)-(4-chlorophenyl)(phenyl)methyl]-4-methyl-1,4-diazepane 45 47 0 0 0 SMALL GASTEIGER @ATOM 1 CL -4.8445 -2.3081 -0.1340 Cl 1 UNL1111111111 -0.1007 2 N 1.3826 0.0658 -0.4573 N.3 1 UNL1111111111 -0.4416 3 N 3.7205 -2.2037 0.1599 N.3 1 UNL1111111111 -0.4147 4 C 2.6858 0.7291 -0.2287 C.3 1 UNL1111111111 -0.1105 5 C 0.3439 0.6080 0.4728 C.3 1 UNL1111111111 0.0173 6 C 1.4444 -1.4134 -0.3372 C.3 1 UNL1111111111 -0.1110 7 C 3.5364 0.1578 0.9195 C.3 1 UNL1111111111 -0.3156 8 C 2.7312 -2.0274 -0.9312 C.3 1 UNL1111111111 -0.1257 9 C 4.4779 -0.9592 0.4377 C.3 1 UNL1111111111 -0.1103 10 C -0.9653 -0.1387 0.3076 C.ar 1 UNL1111111111 -0.0214 11 C 0.0601 2.0671 0.1720 C.ar 1 UNL1111111111 -0.0143 12 C 4.6573 -3.3053 -0.1556 C.3 1 UNL1111111111 -0.2838 13 C -1.5565 -0.2606 -0.9535 C.ar 1 UNL1111111111 -0.1151 14 C -1.5870 -0.6845 1.4320 C.ar 1 UNL1111111111 -0.1482 15 C -0.3288 2.9031 1.2202 C.ar 1 UNL1111111111 -0.1737 16 C 0.1452 2.5716 -1.1264 C.ar 1 UNL1111111111 -0.1443 17 C -2.7658 -0.9341 -1.0986 C.ar 1 UNL1111111111 -0.1722 18 C -2.8003 -1.3600 1.3022 C.ar 1 UNL1111111111 -0.1665 19 C -0.6354 4.2380 0.9676 C.ar 1 UNL1111111111 -0.1403 20 C -0.1591 3.9075 -1.3745 C.ar 1 UNL1111111111 -0.1470 21 C -3.3590 -1.4710 0.0373 C.ar 1 UNL1111111111 0.0266 22 C -0.5513 4.7418 -0.3288 C.ar 1 UNL1111111111 -0.1555 23 H 2.5144 1.8166 -0.0645 H 1 UNL1111111111 0.1436 24 H 3.2422 0.6644 -1.1919 H 1 UNL1111111111 0.1438 25 H 0.6982 0.5145 1.5384 H 1 UNL1111111111 0.1345 26 H 0.5688 -1.8068 -0.9039 H 1 UNL1111111111 0.1447 27 H 1.3365 -1.7619 0.7156 H 1 UNL1111111111 0.1431 28 H 2.8866 -0.2312 1.7275 H 1 UNL1111111111 0.1596 29 H 4.1376 0.9645 1.3768 H 1 UNL1111111111 0.1388 30 H 2.4752 -3.0247 -1.3525 H 1 UNL1111111111 0.1354 31 H 3.1067 -1.4190 -1.7785 H 1 UNL1111111111 0.1303 32 H 5.0682 -0.6105 -0.4368 H 1 UNL1111111111 0.1116 33 H 5.2084 -1.1885 1.2470 H 1 UNL1111111111 0.1348 34 H 5.3430 -3.4516 0.6961 H 1 UNL1111111111 0.1458 35 H 5.2570 -3.1491 -1.0638 H 1 UNL1111111111 0.1181 36 H 4.0842 -4.2413 -0.2673 H 1 UNL1111111111 0.1479 37 H -1.0578 0.1713 -1.8242 H 1 UNL1111111111 0.1750 38 H -1.1290 -0.5896 2.4156 H 1 UNL1111111111 0.1581 39 H -0.4014 2.5142 2.2332 H 1 UNL1111111111 0.1505 40 H 0.4569 1.9150 -1.9417 H 1 UNL1111111111 0.1726 41 H -3.2284 -1.0323 -2.0793 H 1 UNL1111111111 0.1705 42 H -3.2887 -1.7876 2.1768 H 1 UNL1111111111 0.1693 43 H -0.9432 4.8873 1.7851 H 1 UNL1111111111 0.1474 44 H -0.0925 4.2993 -2.3871 H 1 UNL1111111111 0.1473 45 H -0.7924 5.7835 -0.5243 H 1 UNL1111111111 0.1459 @BOND 1 1 21 1 2 2 4 1 3 2 5 1 4 2 6 1 5 3 8 1 6 3 9 1 7 3 12 1 8 4 7 1 9 4 23 1 10 4 24 1 11 5 10 1 12 5 11 1 13 5 25 1 14 6 8 1 15 6 26 1 16 6 27 1 17 7 9 1 18 7 28 1 19 7 29 1 20 8 30 1 21 8 31 1 22 9 32 1 23 9 33 1 24 10 13 ar 25 10 14 ar 26 11 15 ar 27 11 16 ar 28 12 34 1 29 12 35 1 30 12 36 1 31 13 17 ar 32 13 37 1 33 14 18 ar 34 14 38 1 35 15 19 ar 36 15 39 1 37 16 20 ar 38 16 40 1 39 17 21 ar 40 17 41 1 41 18 21 ar 42 18 42 1 43 19 22 ar 44 19 43 1 45 20 22 ar 46 20 44 1 47 22 45 1