@MOLECULE n-{[5-(dimethylamino)-1-naphthyl]sulfonyl}glycylglycylglycine 51 52 0 0 0 SMALL GASTEIGER @ATOM 1 S 3.8829 -0.4069 -0.0491 S.O2 1 UNL1111111111 2.3739 2 O 4.5669 -0.9710 -1.1929 O.2 1 UNL1111111111 -0.9092 3 O 4.5901 0.3109 0.9828 O.2 1 UNL1111111111 -0.8870 4 O 0.5900 -2.1698 1.7384 O.2 1 UNL1111111111 -0.5223 5 O -1.9867 -1.8040 -1.3331 O.2 1 UNL1111111111 -0.5094 6 O -4.1793 -0.3779 1.1983 O.3 1 UNL1111111111 -0.5508 7 O -5.6865 0.5156 -0.1829 O.2 1 UNL1111111111 -0.4945 8 N -1.3758 3.4563 -0.3646 N.pl3 1 UNL1111111111 -0.4068 9 N 3.1207 -1.7356 0.7743 N.3 1 UNL1111111111 -0.8651 10 N -0.1253 -3.3308 -0.0737 N.am 1 UNL1111111111 -0.5776 11 N -3.7561 -2.5632 -0.1290 N.am 1 UNL1111111111 -0.5688 12 C 1.6529 1.2942 0.1476 C.ar 1 UNL1111111111 0.0788 13 C 0.5614 1.9606 -0.4681 C.ar 1 UNL1111111111 -0.0696 14 C 2.5380 0.5397 -0.6755 C.ar 1 UNL1111111111 -0.4433 15 C -0.3349 2.7358 0.3368 C.ar 1 UNL1111111111 0.1635 16 C 1.8092 1.4166 1.5572 C.ar 1 UNL1111111111 -0.1973 17 C 0.3711 1.8498 -1.8716 C.ar 1 UNL1111111111 -0.0416 18 C 2.3497 0.4865 -2.0365 C.ar 1 UNL1111111111 -0.0367 19 C -0.1778 2.7918 1.7033 C.ar 1 UNL1111111111 -0.2498 20 C 1.2502 1.1317 -2.6415 C.ar 1 UNL1111111111 -0.2224 21 C 0.9078 2.1239 2.3102 C.ar 1 UNL1111111111 -0.0933 22 C 2.2467 -2.6476 0.0518 C.3 1 UNL1111111111 -0.1212 23 C -1.2074 4.9161 -0.1802 C.3 1 UNL1111111111 -0.2683 24 C -2.7175 2.9874 0.0429 C.3 1 UNL1111111111 -0.2686 25 C 0.8370 -2.6320 0.6457 C.2 1 UNL1111111111 0.5467 26 C -1.4933 -3.3670 0.4342 C.3 1 UNL1111111111 -0.1673 27 C -2.3953 -2.4716 -0.4099 C.2 1 UNL1111111111 0.5573 28 C -4.6562 -1.6119 -0.7685 C.3 1 UNL1111111111 -0.1409 29 C -4.9233 -0.3781 0.0667 C.2 1 UNL1111111111 0.6064 30 H 2.6705 0.9651 2.0578 H 1 UNL1111111111 0.1867 31 H -0.4920 2.3528 -2.3208 H 1 UNL1111111111 0.1775 32 H 3.0416 -0.0558 -2.6970 H 1 UNL1111111111 0.1772 33 H -0.8676 3.3552 2.3259 H 1 UNL1111111111 0.1585 34 H 1.1110 1.0514 -3.7167 H 1 UNL1111111111 0.1573 35 H 2.8640 -1.6154 1.7538 H 1 UNL1111111111 0.3299 36 H 1.0240 2.1883 3.3929 H 1 UNL1111111111 0.1554 37 H 2.6536 -3.6895 0.1663 H 1 UNL1111111111 0.1724 38 H 2.2244 -2.4419 -1.0417 H 1 UNL1111111111 0.1628 39 H -2.1156 5.4487 -0.4979 H 1 UNL1111111111 0.1475 40 H -0.3760 5.2415 -0.8346 H 1 UNL1111111111 0.1527 41 H -0.9725 5.2235 0.8496 H 1 UNL1111111111 0.1268 42 H -3.4663 3.4367 -0.6326 H 1 UNL1111111111 0.1562 43 H -2.9893 3.2227 1.0817 H 1 UNL1111111111 0.1209 44 H -2.7711 1.8929 -0.1001 H 1 UNL1111111111 0.1487 45 H -0.0262 -3.4815 -1.0685 H 1 UNL1111111111 0.3174 46 H -1.8599 -4.4228 0.4172 H 1 UNL1111111111 0.1693 47 H -1.5175 -3.0380 1.5076 H 1 UNL1111111111 0.2028 48 H -4.0750 -2.9451 0.7504 H 1 UNL1111111111 0.3128 49 H -4.2304 -1.2822 -1.7595 H 1 UNL1111111111 0.2130 50 H -5.6286 -2.1152 -0.9995 H 1 UNL1111111111 0.1786 51 H -4.2980 0.4382 1.7477 H 1 UNL1111111111 0.3607 @BOND 1 1 2 2 2 1 3 2 3 1 9 1 4 1 14 1 5 4 25 2 6 5 27 2 7 6 29 1 8 6 51 1 9 7 29 2 10 8 15 1 11 8 23 1 12 8 24 1 13 9 22 1 14 9 35 1 15 10 25 am 16 10 26 1 17 10 45 1 18 11 27 am 19 11 28 1 20 11 48 1 21 12 13 ar 22 12 14 ar 23 12 16 ar 24 13 15 ar 25 13 17 ar 26 14 18 ar 27 15 19 ar 28 16 21 ar 29 16 30 1 30 17 20 ar 31 17 31 1 32 18 20 ar 33 18 32 1 34 19 21 ar 35 19 33 1 36 20 34 1 37 21 36 1 38 22 25 1 39 22 37 1 40 22 38 1 41 23 39 1 42 23 40 1 43 23 41 1 44 24 42 1 45 24 43 1 46 24 44 1 47 26 27 1 48 26 46 1 49 26 47 1 50 28 29 1 51 28 49 1 52 28 50 1