@MOLECULE 1-[5-(3-azabicyclo[3.2.2]non-3-yl)-1-methyl-2-oxo-2,3-dihydro-1h-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea 64 68 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.1572 -0.3788 2.5450 O.2 1 UNL11 -0.4632 2 O 2.6640 -1.2679 -0.5453 O.2 1 UNL11 -0.5475 3 N -3.0049 0.8245 -1.3602 N.pl3 1 UNL11 -0.3978 4 N -0.8650 0.5136 -0.4470 N.2 1 UNL11 -0.5708 5 N -1.4489 -1.6203 1.5604 N.am 1 UNL11 -0.4950 6 N 1.3695 0.4303 0.2467 N.am 1 UNL11 -0.5953 7 N 3.6728 0.7489 0.0068 N.am 1 UNL11 -0.5832 8 C -4.8592 1.1967 0.3803 C.3 1 UNL11 -0.1201 9 C -3.1403 3.1971 -0.3731 C.3 1 UNL11 -0.1142 10 C -3.7118 1.4057 1.3759 C.3 1 UNL11 -0.2747 11 C -5.5651 2.5387 0.1345 C.3 1 UNL11 -0.2708 12 C -2.8359 2.6180 1.0148 C.3 1 UNL11 -0.2666 13 C -4.6274 3.5755 -0.5006 C.3 1 UNL11 -0.2772 14 C -4.3973 0.5586 -0.9579 C.3 1 UNL11 -0.0983 15 C -2.6919 2.2567 -1.5188 C.3 1 UNL11 -0.0901 16 C -2.0189 0.0072 -0.7856 C.2 1 UNL11 0.4045 17 C -2.3008 -1.4519 -0.7312 C.ar 1 UNL11 -0.2000 18 C -2.0187 -2.2159 0.4161 C.ar 1 UNL11 0.2334 19 C 0.1611 -0.3630 0.0952 C.3 1 UNL11 0.2028 20 C -2.8060 -2.0815 -1.8727 C.ar 1 UNL11 -0.0640 21 C -0.3305 -0.7770 1.5184 C.2 1 UNL11 0.5274 22 C -2.3140 -3.5920 0.4188 C.ar 1 UNL11 -0.2324 23 C -3.0762 -3.4434 -1.8697 C.ar 1 UNL11 -0.1986 24 C -2.8394 -4.1934 -0.7157 C.ar 1 UNL11 -0.0767 25 C -1.8779 -2.1043 2.8805 C.3 1 UNL11 -0.2207 26 C 2.5846 -0.1271 -0.1356 C.2 1 UNL11 0.7420 27 C 5.0222 0.3757 -0.1670 C.ar 1 UNL11 0.2660 28 C 5.9820 1.3741 0.0852 C.ar 1 UNL11 -0.3161 29 C 5.4261 -0.9019 -0.5739 C.ar 1 UNL11 -0.2515 30 C 7.3359 1.0869 -0.0724 C.ar 1 UNL11 0.1080 31 C 6.7830 -1.1699 -0.7213 C.ar 1 UNL11 -0.0764 32 C 7.7398 -0.1887 -0.4746 C.ar 1 UNL11 -0.2530 33 C 8.3537 2.1412 0.2089 C.3 1 UNL11 -0.4621 34 H -5.5963 0.4925 0.8399 H 1 UNL11 0.1277 35 H -2.5409 4.1371 -0.4889 H 1 UNL11 0.1290 36 H -3.0916 0.4914 1.4403 H 1 UNL11 0.1437 37 H -4.1276 1.5425 2.3920 H 1 UNL11 0.1348 38 H -5.9445 2.9244 1.1009 H 1 UNL11 0.1368 39 H -6.4582 2.3923 -0.4986 H 1 UNL11 0.1270 40 H -2.9725 3.4112 1.7730 H 1 UNL11 0.1315 41 H -1.7653 2.3304 1.0645 H 1 UNL11 0.1589 42 H -4.8868 3.7172 -1.5655 H 1 UNL11 0.1302 43 H -4.7925 4.5598 -0.0228 H 1 UNL11 0.1315 44 H -4.5640 -0.5399 -0.9092 H 1 UNL11 0.1412 45 H -5.0418 0.9322 -1.7884 H 1 UNL11 0.1495 46 H -3.1741 2.5724 -2.4729 H 1 UNL11 0.1349 47 H -1.5908 2.3712 -1.6716 H 1 UNL11 0.1701 48 H 0.3720 -1.2839 -0.5296 H 1 UNL11 0.1929 49 H -2.9848 -1.4870 -2.7736 H 1 UNL11 0.1707 50 H -2.1050 -4.1907 1.3033 H 1 UNL11 0.1687 51 H -3.4665 -3.9255 -2.7629 H 1 UNL11 0.1570 52 H 1.2475 1.3843 0.5460 H 1 UNL11 0.3316 53 H -3.0552 -5.2621 -0.7120 H 1 UNL11 0.1496 54 H -1.2746 -2.9680 3.2097 H 1 UNL11 0.1461 55 H -2.9436 -2.3822 2.8666 H 1 UNL11 0.1452 56 H -1.7445 -1.2974 3.6305 H 1 UNL11 0.1753 57 H 3.5093 1.6824 0.3685 H 1 UNL11 0.3132 58 H 5.6762 2.3659 0.4013 H 1 UNL11 0.1563 59 H 4.6943 -1.6872 -0.7755 H 1 UNL11 0.2033 60 H 7.0991 -2.1649 -1.0353 H 1 UNL11 0.1476 61 H 8.7946 -0.4148 -0.5924 H 1 UNL11 0.1522 62 H 9.2878 1.9792 -0.3456 H 1 UNL11 0.1565 63 H 7.9955 3.1458 -0.0532 H 1 UNL11 0.1561 64 H 8.6102 2.1555 1.2795 H 1 UNL11 0.1631 @BOND 1 1 21 2 2 2 26 2 3 3 14 1 4 3 15 1 5 3 16 1 6 4 16 2 7 4 19 1 8 5 18 1 9 5 21 am 10 5 25 1 11 6 19 1 12 6 26 am 13 6 52 1 14 7 26 am 15 7 27 1 16 7 57 1 17 8 10 1 18 8 11 1 19 8 14 1 20 8 34 1 21 9 12 1 22 9 13 1 23 9 15 1 24 9 35 1 25 10 12 1 26 10 36 1 27 10 37 1 28 11 13 1 29 11 38 1 30 11 39 1 31 12 40 1 32 12 41 1 33 13 42 1 34 13 43 1 35 14 44 1 36 14 45 1 37 15 46 1 38 15 47 1 39 16 17 1 40 17 18 ar 41 17 20 ar 42 18 22 ar 43 19 21 1 44 19 48 1 45 20 23 ar 46 20 49 1 47 22 24 ar 48 22 50 1 49 23 24 ar 50 23 51 1 51 24 53 1 52 25 54 1 53 25 55 1 54 25 56 1 55 27 28 ar 56 27 29 ar 57 28 30 ar 58 28 58 1 59 29 31 ar 60 29 59 1 61 30 32 ar 62 30 33 1 63 31 32 ar 64 31 60 1 65 32 61 1 66 33 62 1 67 33 63 1 68 33 64 1