@MOLECULE hexamidine 52 53 0 0 0 SMALL GASTEIGER @ATOM 1 O -4.0264 -0.6669 -0.9044 O.3 1 UNL11 -0.3460 2 O 4.0254 -0.6572 0.9091 O.3 1 UNL11 -0.3462 3 N -9.3649 1.7224 1.5419 N.pl3 1 UNL11 -0.7144 4 N 9.3673 1.7030 -1.5593 N.pl3 1 UNL11 -0.7134 5 N -10.1361 0.9504 -0.5809 N.2 1 UNL11 -0.6281 6 N 10.1342 0.9601 0.5760 N.2 1 UNL11 -0.6275 7 C -0.6769 -1.4270 0.3667 C.3 1 UNL11 -0.2655 8 C 0.6765 -1.4287 -0.3568 C.3 1 UNL11 -0.2655 9 C -1.8227 -1.3364 -0.6444 C.3 1 UNL11 -0.2959 10 C 1.8220 -1.3322 0.6541 C.3 1 UNL11 -0.2959 11 C -3.1699 -1.2614 0.0778 C.3 1 UNL11 -0.0428 12 C 3.1699 -1.2625 -0.0676 C.3 1 UNL11 -0.0427 13 C -5.2697 -0.2982 -0.5146 C.ar 1 UNL11 0.2813 14 C 5.2698 -0.2938 0.5177 C.ar 1 UNL11 0.2815 15 C -5.9571 0.4289 -1.5027 C.ar 1 UNL11 -0.2682 16 C 5.9568 0.4425 1.4992 C.ar 1 UNL11 -0.2684 17 C -5.8542 -0.5963 0.7176 C.ar 1 UNL11 -0.3196 18 C 5.8554 -0.6046 -0.7107 C.ar 1 UNL11 -0.3197 19 C -7.8282 0.6103 0.0135 C.ar 1 UNL11 -0.1407 20 C 7.8285 0.6104 -0.0179 C.ar 1 UNL11 -0.1408 21 C -7.2400 0.8741 -1.2313 C.ar 1 UNL11 -0.0288 22 C 7.2399 0.8854 1.2244 C.ar 1 UNL11 -0.0286 23 C -7.1458 -0.1390 0.9704 C.ar 1 UNL11 -0.0524 24 C 7.1462 -0.1478 -0.9680 C.ar 1 UNL11 -0.0523 25 C -9.1956 1.1132 0.2829 C.2 1 UNL11 0.4336 26 C 9.1957 1.1113 -0.2920 C.2 1 UNL11 0.4328 27 H -0.7786 -2.3391 0.9842 H 1 UNL11 0.1396 28 H -0.7239 -0.5736 1.0715 H 1 UNL11 0.1425 29 H 0.7233 -0.5792 -1.0663 H 1 UNL11 0.1425 30 H 0.7786 -2.3442 -0.9692 H 1 UNL11 0.1396 31 H -1.8054 -2.1964 -1.3395 H 1 UNL11 0.1510 32 H -1.7022 -0.4382 -1.2872 H 1 UNL11 0.1630 33 H 1.8040 -2.1878 1.3546 H 1 UNL11 0.1509 34 H 1.7015 -0.4299 1.2911 H 1 UNL11 0.1630 35 H -3.1304 -0.6149 0.9716 H 1 UNL11 0.1299 36 H -3.5668 -2.2553 0.3428 H 1 UNL11 0.1298 37 H 3.1307 -0.6245 -0.9676 H 1 UNL11 0.1299 38 H 3.5675 -2.2588 -0.3225 H 1 UNL11 0.1298 39 H -5.4774 0.6249 -2.4581 H 1 UNL11 0.1757 40 H 5.4764 0.6478 2.4523 H 1 UNL11 0.1756 41 H -5.3336 -1.1807 1.4667 H 1 UNL11 0.1637 42 H 5.3353 -1.1967 -1.4541 H 1 UNL11 0.1637 43 H -7.8075 1.4247 -1.9869 H 1 UNL11 0.1725 44 H 7.8062 1.4439 1.9752 H 1 UNL11 0.1726 45 H -7.6263 -0.3799 1.9205 H 1 UNL11 0.1587 46 H 7.6266 -0.3962 -1.9163 H 1 UNL11 0.1588 47 H -8.5640 2.0107 2.0621 H 1 UNL11 0.2982 48 H -10.2012 2.2292 1.7361 H 1 UNL11 0.2922 49 H 8.5665 1.9892 -2.0811 H 1 UNL11 0.2979 50 H 10.2033 2.2095 -1.7566 H 1 UNL11 0.2918 51 H -11.0682 1.2794 -0.4186 H 1 UNL11 0.2709 52 H 11.0663 1.2879 0.4111 H 1 UNL11 0.2707 @BOND 1 1 11 1 2 1 13 1 3 2 12 1 4 2 14 1 5 3 25 1 6 3 47 1 7 3 48 1 8 4 26 1 9 4 49 1 10 4 50 1 11 5 25 2 12 5 51 1 13 6 26 2 14 6 52 1 15 7 8 1 16 7 9 1 17 7 27 1 18 7 28 1 19 8 10 1 20 8 29 1 21 8 30 1 22 9 11 1 23 9 31 1 24 9 32 1 25 10 12 1 26 10 33 1 27 10 34 1 28 11 35 1 29 11 36 1 30 12 37 1 31 12 38 1 32 13 15 ar 33 13 17 ar 34 14 16 ar 35 14 18 ar 36 15 21 ar 37 15 39 1 38 16 22 ar 39 16 40 1 40 17 23 ar 41 17 41 1 42 18 24 ar 43 18 42 1 44 19 21 ar 45 19 23 ar 46 19 25 1 47 20 22 ar 48 20 24 ar 49 20 26 1 50 21 43 1 51 22 44 1 52 23 45 1 53 24 46 1