@MOLECULE benzoyl-l-arginine amide 39 39 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.4566 -2.6545 -1.7160 O.2 1 UNL1111111111 -0.5311 2 O 2.1944 -1.1762 1.6332 O.2 1 UNL1111111111 -0.5264 3 N 0.9810 -0.4633 -0.1378 N.am 1 UNL1111111111 -0.5864 4 N -4.1355 0.6394 0.3840 N.pl3 1 UNL1111111111 -0.5697 5 N -0.4344 -3.8021 0.0064 N.am 1 UNL1111111111 -0.6853 6 N -5.7018 2.3136 -0.4715 N.pl3 1 UNL1111111111 -0.6718 7 N -6.4047 0.1589 0.2302 N.pl3 1 UNL1111111111 -0.6240 8 C -1.4653 -0.6659 -0.1907 C.3 1 UNL1111111111 -0.2882 9 C -0.1394 -1.3337 0.2133 C.3 1 UNL1111111111 0.0153 10 C -1.7248 0.5953 0.6373 C.3 1 UNL1111111111 -0.2482 11 C -2.9249 1.3830 0.0719 C.3 1 UNL1111111111 -0.0809 12 C 0.0011 -2.6394 -0.5921 C.2 1 UNL1111111111 0.5517 13 C 2.1291 -0.4778 0.6402 C.2 1 UNL1111111111 0.5837 14 C 3.2048 0.4621 0.2258 C.ar 1 UNL1111111111 -0.1326 15 C 4.5301 0.0784 0.4369 C.ar 1 UNL1111111111 -0.0837 16 C 2.9106 1.7162 -0.3129 C.ar 1 UNL1111111111 -0.1172 17 C -5.3187 1.0533 0.0602 C.cat 1 UNL1111111111 0.5045 18 C 5.5648 0.9429 0.0847 C.ar 1 UNL1111111111 -0.1627 19 C 3.9474 2.5768 -0.6628 C.ar 1 UNL1111111111 -0.1649 20 C 5.2722 2.1883 -0.4680 C.ar 1 UNL1111111111 -0.1165 21 H -1.4632 -0.4294 -1.2734 H 1 UNL1111111111 0.1528 22 H -2.3095 -1.3741 -0.0510 H 1 UNL1111111111 0.1677 23 H -0.1150 -1.5358 1.3195 H 1 UNL1111111111 0.1826 24 H -0.8295 1.2444 0.6525 H 1 UNL1111111111 0.1450 25 H -1.9286 0.3215 1.6928 H 1 UNL1111111111 0.1564 26 H -2.8025 1.5145 -1.0272 H 1 UNL1111111111 0.1227 27 H -2.9454 2.3999 0.5259 H 1 UNL1111111111 0.1258 28 H 0.9911 -0.1067 -1.0838 H 1 UNL1111111111 0.3233 29 H -0.3551 -4.6763 -0.4745 H 1 UNL1111111111 0.3114 30 H -0.7701 -3.8333 0.9435 H 1 UNL1111111111 0.3054 31 H 4.7493 -0.8899 0.8866 H 1 UNL1111111111 0.1713 32 H 1.8780 2.0332 -0.4539 H 1 UNL1111111111 0.1555 33 H 6.6015 0.6516 0.2428 H 1 UNL1111111111 0.1555 34 H 3.7273 3.5513 -1.0940 H 1 UNL1111111111 0.1517 35 H 6.0810 2.8607 -0.7491 H 1 UNL1111111111 0.1481 36 H -4.9845 2.8177 -0.9617 H 1 UNL1111111111 0.2865 37 H -6.5847 2.3497 -0.9546 H 1 UNL1111111111 0.2902 38 H -7.2568 0.5695 0.5792 H 1 UNL1111111111 0.2826 39 H -6.1635 -0.6930 0.7208 H 1 UNL1111111111 0.2998 @BOND 1 1 12 2 2 2 13 2 3 3 9 1 4 3 13 am 5 3 28 1 6 4 11 1 7 4 17 2 8 5 12 am 9 5 29 1 10 5 30 1 11 6 17 1 12 6 36 1 13 6 37 1 14 7 17 1 15 7 38 1 16 7 39 1 17 8 9 1 18 8 10 1 19 8 21 1 20 8 22 1 21 9 12 1 22 9 23 1 23 10 11 1 24 10 24 1 25 10 25 1 26 11 26 1 27 11 27 1 28 13 14 1 29 14 15 ar 30 14 16 ar 31 15 18 ar 32 15 31 1 33 16 19 ar 34 16 32 1 35 18 20 ar 36 18 33 1 37 19 20 ar 38 19 34 1 39 20 35 1