@MOLECULE n~5~-(n'-allylcarbamimidoyl)-l-ornithine 33 32 0 0 0 SMALL GASTEIGER @ATOM 1 O1 3.9523 0.4965 1.7734 O.3 1 <1> -0.5570 2 O2 4.6571 -0.9810 0.2585 O.2 1 <1> -0.5173 3 N1 -0.9331 -1.2935 -0.1355 N.pl3 1 <1> -0.5437 4 N2 3.7603 0.6534 -1.8774 N.3 1 <1> -0.6233 5 N3 -2.9523 -0.1265 0.1869 N.pl3 1 <1> -0.5759 6 N4 -2.9411 -2.5310 -0.1908 N.pl3 1 <1> -0.6776 7 C1 1.9667 1.1527 -0.2333 C.3 1 <1> -0.2740 8 C2 1.2421 -0.1945 -0.2956 C.3 1 <1> -0.2954 9 C3 3.4810 1.0372 -0.4895 C.3 1 <1> -0.0021 10 C4 -0.2416 0.0024 0.0566 C.3 1 <1> -0.0736 11 C5 4.0926 0.0522 0.5021 C.2 1 <1> 0.5787 12 C6 -2.3485 -1.2507 -0.0363 C.cat 1 <1> 0.5094 13 C7 -4.3998 0.0148 0.1473 C.3 1 <1> -0.0944 14 C8 -4.7226 1.4848 0.1869 C.2 1 <1> -0.0791 15 C9 -5.9663 1.9414 0.0494 C.2 1 <1> -0.3712 16 H1 1.5338 1.8486 -0.9842 H 1 <1> 0.1684 17 H2 1.8053 1.6273 0.7571 H 1 <1> 0.1606 18 H3 1.3201 -0.6363 -1.3096 H 1 <1> 0.1564 19 H4 1.7087 -0.9243 0.3923 H 1 <1> 0.1424 20 H5 3.9589 2.0457 -0.3175 H 1 <1> 0.1765 21 H6 -0.3654 0.3913 1.0907 H 1 <1> 0.1380 22 H7 -0.7114 0.7558 -0.6199 H 1 <1> 0.1679 23 H8 -0.5040 -2.0518 0.3942 H 1 <1> 0.2897 24 H9 4.7392 0.4615 -2.0340 H 1 <1> 0.2635 25 H10 3.2213 -0.1488 -2.1685 H 1 <1> 0.2616 26 H11 4.3466 -0.1039 2.4542 H 1 <1> 0.3569 27 H12 -3.9050 -2.5451 -0.4702 H 1 <1> 0.2878 28 H13 -2.3976 -3.2352 -0.6599 H 1 <1> 0.2926 29 H14 -4.8645 -0.4902 1.0312 H 1 <1> 0.1492 30 H15 -4.8499 -0.4471 -0.7625 H 1 <1> 0.1292 31 H16 -3.8628 2.1391 0.3413 H 1 <1> 0.1645 32 H17 -6.2177 2.9893 0.0817 H 1 <1> 0.1481 33 H18 -6.8288 1.3148 -0.1045 H 1 <1> 0.1432 @BOND 1 1 11 1 2 1 26 1 3 2 11 2 4 3 10 1 5 3 12 1 6 3 23 1 7 4 9 1 8 4 24 1 9 4 25 1 10 5 12 2 11 5 13 1 12 6 12 1 13 6 27 1 14 6 28 1 15 7 8 1 16 7 9 1 17 7 16 1 18 7 17 1 19 8 10 1 20 8 18 1 21 8 19 1 22 9 11 1 23 9 20 1 24 10 21 1 25 10 22 1 26 13 14 1 27 13 29 1 28 13 30 1 29 14 15 2 30 14 31 1 31 15 32 1 32 15 33 1