@MOLECULE 3,6-diamino-10-{6-[(4-nitrobenzoyl)oxy]hexyl}acridinium 61 64 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.8258 -0.0909 -0.6876 O.3 1 UNL1111 -0.4293 2 O -4.7408 0.0327 -2.7322 O.2 1 UNL1111 -0.4881 3 O -10.9093 0.0439 0.4629 O.2 1 UNL1111 -0.3880 4 O -9.9154 -0.0703 2.3686 O.2 1 UNL1111 -0.3904 5 N 4.6852 -0.0012 0.7357 N.ar 1 UNL1111 -0.3748 6 N 4.8333 -4.8477 0.3886 N.pl3 1 UNL1111 -0.6232 7 N 4.2903 4.8345 0.4394 N.pl3 1 UNL1111 -0.6227 8 N -9.9033 -0.0143 1.1502 N.pl3 1 UNL1111 0.6114 9 C 3.2965 -0.0789 1.2140 C.3 1 UNL1111 -0.0801 10 C 2.3070 -0.0987 0.0351 C.3 1 UNL1111 -0.3059 11 C 0.8660 -0.1342 0.5477 C.3 1 UNL1111 -0.2608 12 C 5.3447 -1.1859 0.3740 C.ar 1 UNL1111 0.2474 13 C 5.2099 1.2540 0.3903 C.ar 1 UNL1111 0.2467 14 C -0.1169 -0.1175 -0.6301 C.3 1 UNL1111 -0.2651 15 C 6.6672 -1.1088 -0.1588 C.ar 1 UNL1111 -0.0936 16 C 6.5310 1.3299 -0.1458 C.ar 1 UNL1111 -0.0931 17 C -1.5617 -0.1378 -0.1221 C.3 1 UNL1111 -0.3039 18 C 7.2647 0.1490 -0.3909 C.ar 1 UNL1111 -0.2037 19 C 4.7466 -2.4377 0.5610 C.ar 1 UNL1111 -0.3847 20 C 4.4772 2.4291 0.5951 C.ar 1 UNL1111 -0.3841 21 C 7.3521 -2.3036 -0.4599 C.ar 1 UNL1111 -0.0732 22 C 7.0763 2.5964 -0.4383 C.ar 1 UNL1111 -0.0736 23 C -2.5253 -0.0948 -1.3047 C.3 1 UNL1111 -0.0095 24 C 5.4580 -3.6105 0.2501 C.ar 1 UNL1111 0.2662 25 C 5.0508 3.6766 0.2906 C.ar 1 UNL1111 0.2649 26 C 6.7709 -3.5415 -0.2594 C.ar 1 UNL1111 -0.2987 27 C 6.3605 3.7594 -0.2245 C.ar 1 UNL1111 -0.2980 28 C -4.8771 -0.0216 -1.5355 C.2 1 UNL1111 0.5883 29 C -6.1633 -0.0216 -0.8023 C.ar 1 UNL1111 -0.0927 30 C -7.3359 0.0430 -1.5598 C.ar 1 UNL1111 -0.1003 31 C -6.2094 -0.0831 0.5909 C.ar 1 UNL1111 -0.1005 32 C -8.5716 0.0456 -0.9202 C.ar 1 UNL1111 -0.1141 33 C -7.4415 -0.0806 1.2400 C.ar 1 UNL1111 -0.1167 34 C -8.6081 -0.0166 0.4748 C.ar 1 UNL1111 -0.0351 35 H 3.0913 0.7793 1.8951 H 1 UNL1111 0.1505 36 H 3.1721 -0.9821 1.8545 H 1 UNL1111 0.1505 37 H 2.4708 0.7891 -0.6080 H 1 UNL1111 0.1586 38 H 2.5126 -0.9712 -0.6161 H 1 UNL1111 0.1574 39 H 0.7012 -1.0365 1.1664 H 1 UNL1111 0.1361 40 H 0.6739 0.7302 1.2113 H 1 UNL1111 0.1360 41 H 0.0585 0.7811 -1.2538 H 1 UNL1111 0.1452 42 H 0.0698 -0.9864 -1.2909 H 1 UNL1111 0.1444 43 H -1.7494 -1.0422 0.4887 H 1 UNL1111 0.1522 44 H -1.7519 0.7189 0.5534 H 1 UNL1111 0.1529 45 H 8.2766 0.2071 -0.7687 H 1 UNL1111 0.1568 46 H 3.7323 -2.5287 0.9306 H 1 UNL1111 0.1646 47 H 3.4622 2.4033 0.9732 H 1 UNL1111 0.1650 48 H 8.3637 -2.2385 -0.8615 H 1 UNL1111 0.1529 49 H 8.0861 2.6484 -0.8459 H 1 UNL1111 0.1530 50 H -2.4519 -0.9831 -1.9563 H 1 UNL1111 0.1396 51 H -2.4220 0.8200 -1.9145 H 1 UNL1111 0.1405 52 H 7.3124 -4.4495 -0.4997 H 1 UNL1111 0.1577 53 H 6.7937 4.7250 -0.4597 H 1 UNL1111 0.1577 54 H 5.3947 -5.6718 0.3687 H 1 UNL1111 0.2899 55 H 4.0076 -4.9101 0.9436 H 1 UNL1111 0.2882 56 H 4.7549 5.7169 0.4252 H 1 UNL1111 0.2895 57 H 3.4674 4.7987 1.0010 H 1 UNL1111 0.2878 58 H -7.2759 0.0915 -2.6529 H 1 UNL1111 0.1879 59 H -5.2841 -0.1331 1.1717 H 1 UNL1111 0.1813 60 H -9.5003 0.0953 -1.4989 H 1 UNL1111 0.1928 61 H -7.4962 -0.1288 2.3325 H 1 UNL1111 0.1908 @BOND 1 1 23 1 2 1 28 1 3 2 28 2 4 3 8 2 5 4 8 2 6 5 9 1 7 5 12 ar 8 5 13 ar 9 6 24 1 10 6 54 1 11 6 55 1 12 7 25 1 13 7 56 1 14 7 57 1 15 8 34 1 16 9 10 1 17 9 35 1 18 9 36 1 19 10 11 1 20 10 37 1 21 10 38 1 22 11 14 1 23 11 39 1 24 11 40 1 25 12 15 ar 26 12 19 ar 27 13 16 ar 28 13 20 ar 29 14 17 1 30 14 41 1 31 14 42 1 32 15 18 ar 33 15 21 ar 34 16 18 ar 35 16 22 ar 36 17 23 1 37 17 43 1 38 17 44 1 39 18 45 1 40 19 24 ar 41 19 46 1 42 20 25 ar 43 20 47 1 44 21 26 ar 45 21 48 1 46 22 27 ar 47 22 49 1 48 23 50 1 49 23 51 1 50 24 26 ar 51 25 27 ar 52 26 52 1 53 27 53 1 54 28 29 1 55 29 30 ar 56 29 31 ar 57 30 32 ar 58 30 58 1 59 31 33 ar 60 31 59 1 61 32 34 ar 62 32 60 1 63 33 34 ar 64 33 61 1