@MOLECULE ethyl n-[(benzyloxy)carbonyl]-3-sulfamoyl-d-alaninate 40 40 0 0 0 SMALL GASTEIGER @ATOM 1 S -2.4563 -1.8870 -0.1107 S.O2 1 UNL1111111111 2.3532 2 O -2.4289 1.5966 -0.8098 O.3 1 UNL1111111111 -0.3923 3 O 1.7490 0.5984 0.5041 O.3 1 UNL1111111111 -0.4089 4 O -3.8095 -1.8734 -0.5999 O.2 1 UNL1111111111 -0.8983 5 O -1.3319 -1.5797 -0.9664 O.2 1 UNL1111111111 -0.9275 6 O -3.7756 1.8670 0.9739 O.2 1 UNL1111111111 -0.5019 7 O 0.6801 1.0579 2.4719 O.2 1 UNL1111111111 -0.5756 8 N -0.4825 0.5331 0.5481 N.am 1 UNL1111111111 -0.5869 9 N -2.1734 -3.4909 0.4933 N.3 1 UNL1111111111 -0.9416 10 C -1.7747 0.5220 1.2121 C.3 1 UNL1111111111 0.0563 11 C -2.3637 -0.8896 1.3759 C.3 1 UNL1111111111 -0.6217 12 C -2.7850 1.4075 0.4675 C.2 1 UNL1111111111 0.5537 13 C 0.6482 0.7556 1.2974 C.2 1 UNL1111111111 0.7215 14 C 2.9964 0.8636 1.1630 C.3 1 UNL1111111111 -0.0266 15 C -3.3391 2.3630 -1.6249 C.3 1 UNL1111111111 0.0078 16 C 4.0529 0.2993 0.2647 C.ar 1 UNL1111111111 -0.0255 17 C 3.7402 -0.6526 -0.7051 C.ar 1 UNL1111111111 -0.1427 18 C 5.3707 0.7344 0.4235 C.ar 1 UNL1111111111 -0.1688 19 C -2.7237 2.2825 -3.0101 C.3 1 UNL1111111111 -0.4653 20 C 4.7471 -1.1672 -1.5205 C.ar 1 UNL1111111111 -0.1384 21 C 6.3733 0.2123 -0.3895 C.ar 1 UNL1111111111 -0.1391 22 C 6.0627 -0.7371 -1.3626 C.ar 1 UNL1111111111 -0.1555 23 H -1.6623 0.9782 2.2516 H 1 UNL1111111111 0.2073 24 H -1.7670 -1.4335 2.1444 H 1 UNL1111111111 0.2064 25 H -3.3814 -0.8044 1.8244 H 1 UNL1111111111 0.2082 26 H -0.4286 0.1938 -0.4196 H 1 UNL1111111111 0.3735 27 H -2.9389 -4.1417 0.4175 H 1 UNL1111111111 0.2949 28 H -1.3131 -3.9321 0.2072 H 1 UNL1111111111 0.2961 29 H 3.0029 0.3812 2.1623 H 1 UNL1111111111 0.1573 30 H 3.0735 1.9612 1.2888 H 1 UNL1111111111 0.1518 31 H -3.3799 3.3886 -1.2211 H 1 UNL1111111111 0.1322 32 H -4.3394 1.8974 -1.5669 H 1 UNL1111111111 0.1406 33 H 2.7108 -0.9915 -0.8323 H 1 UNL1111111111 0.1690 34 H 5.6164 1.4786 1.1780 H 1 UNL1111111111 0.1522 35 H -1.7157 2.7185 -3.0293 H 1 UNL1111111111 0.1624 36 H -2.6214 1.2369 -3.3386 H 1 UNL1111111111 0.1703 37 H -3.3378 2.8093 -3.7486 H 1 UNL1111111111 0.1544 38 H 4.5018 -1.9059 -2.2814 H 1 UNL1111111111 0.1504 39 H 7.4012 0.5478 -0.2669 H 1 UNL1111111111 0.1483 40 H 6.8474 -1.1404 -1.9986 H 1 UNL1111111111 0.1489 @BOND 1 1 4 2 2 1 5 2 3 1 9 1 4 1 11 1 5 2 12 1 6 2 15 1 7 3 13 1 8 3 14 1 9 6 12 2 10 7 13 2 11 8 10 1 12 8 13 am 13 8 26 1 14 9 27 1 15 9 28 1 16 10 11 1 17 10 12 1 18 10 23 1 19 11 24 1 20 11 25 1 21 14 16 1 22 14 29 1 23 14 30 1 24 15 19 1 25 15 31 1 26 15 32 1 27 16 17 ar 28 16 18 ar 29 17 20 ar 30 17 33 1 31 18 21 ar 32 18 34 1 33 19 35 1 34 19 36 1 35 19 37 1 36 20 22 ar 37 20 38 1 38 21 22 ar 39 21 39 1 40 22 40 1