@MOLECULE 3,8-diamino-6-phenyl-5-[10-(trimethylammonio)decyl]phenanthridinium 80 83 0 0 0 SMALL GASTEIGER @ATOM 1 C -1.0306 -1.9224 0.5447 C.3 1 UNL1111111111 -0.0906 2 C -1.4223 -2.6134 -0.7798 C.3 1 UNL1111111111 -0.2917 3 C -2.7909 -3.2988 -0.6430 C.3 1 UNL1111111111 -0.2695 4 C -3.9620 -2.4364 -1.1393 C.3 1 UNL1111111111 -0.2739 5 C -4.3809 -1.3563 -0.1292 C.3 1 UNL1111111111 -0.2717 6 C -5.0434 -0.1456 -0.8077 C.3 1 UNL1111111111 -0.2721 7 C -4.0590 1.0124 -1.0406 C.3 1 UNL1111111111 -0.2721 8 C -2.9094 0.5926 -1.9609 C.3 1 UNL1111111111 -0.2768 9 C -1.8546 1.6991 -2.1219 C.3 1 UNL1111111111 -0.2963 10 C -0.4825 1.0310 -2.2230 C.3 1 UNL1111111111 -0.1963 11 N 0.6397 1.9663 -2.6316 N.4 1 UNL1111111111 0.0829 12 C 0.7673 3.0928 -1.6554 C.3 1 UNL1111111111 -0.3709 13 C 0.4007 2.5239 -4.0050 C.3 1 UNL1111111111 -0.3553 14 C 1.9152 1.1737 -2.6549 C.3 1 UNL1111111111 -0.3716 15 C 3.7550 1.0565 0.1636 C.ar 1 UNL1111111111 -0.0419 16 C 2.6531 0.2650 0.4274 C.ar 1 UNL1111111111 -0.2131 17 C 1.4628 0.8498 0.9946 C.ar 1 UNL1111111111 0.1888 18 C 1.5503 2.1950 1.4448 C.ar 1 UNL1111111111 -0.4916 19 C 2.6735 2.9616 1.1456 C.ar 1 UNL1111111111 0.3117 20 C 3.7694 2.4244 0.4539 C.ar 1 UNL1111111111 -0.4643 21 C 0.2872 0.1146 1.0576 C.ar 1 UNL1111111111 -0.2785 22 N 0.2295 -1.1670 0.3963 N.ar 1 UNL1111111111 -0.3650 23 C 1.4234 -1.8981 0.3589 C.ar 1 UNL1111111111 0.2913 24 C 2.6538 -1.1786 0.2366 C.ar 1 UNL1111111111 -0.1294 25 C 1.4408 -3.2976 0.3112 C.ar 1 UNL1111111111 -0.4352 26 C 2.6394 -3.9766 0.0337 C.ar 1 UNL1111111111 0.2884 27 C 3.8363 -3.2767 -0.1326 C.ar 1 UNL1111111111 -0.3707 28 C 3.8225 -1.8860 -0.0017 C.ar 1 UNL1111111111 -0.0675 29 C -0.8576 0.5780 1.8226 C.ar 1 UNL1111111111 0.1143 30 C -1.5232 1.7599 1.4656 C.ar 1 UNL1111111111 -0.2143 31 C -2.6403 2.1878 2.1768 C.ar 1 UNL1111111111 -0.1387 32 C -3.1126 1.4429 3.2545 C.ar 1 UNL1111111111 -0.2014 33 C -2.4409 0.2813 3.6374 C.ar 1 UNL1111111111 -0.1306 34 C -1.3190 -0.1434 2.9370 C.ar 1 UNL1111111111 -0.1983 35 N 2.6617 4.3431 1.4520 N.pl3 1 UNL1111111111 -0.6506 36 N 2.6129 -5.3720 -0.1322 N.pl3 1 UNL1111111111 -0.6407 37 H -1.8608 -1.2236 0.8098 H 1 UNL1111111111 0.1552 38 H -0.9695 -2.6649 1.3694 H 1 UNL1111111111 0.1317 39 H -0.6525 -3.3537 -1.0709 H 1 UNL1111111111 0.1550 40 H -1.4230 -1.8775 -1.6019 H 1 UNL1111111111 0.1317 41 H -2.9684 -3.6026 0.4062 H 1 UNL1111111111 0.1427 42 H -2.7773 -4.2446 -1.2195 H 1 UNL1111111111 0.1311 43 H -4.8320 -3.0865 -1.3533 H 1 UNL1111111111 0.1274 44 H -3.7005 -1.9810 -2.1113 H 1 UNL1111111111 0.1322 45 H -3.5055 -1.0155 0.4631 H 1 UNL1111111111 0.1586 46 H -5.0714 -1.7953 0.6143 H 1 UNL1111111111 0.1334 47 H -5.8752 0.2191 -0.1738 H 1 UNL1111111111 0.1342 48 H -5.5103 -0.4457 -1.7623 H 1 UNL1111111111 0.1316 49 H -3.6524 1.3463 -0.0611 H 1 UNL1111111111 0.1602 50 H -4.5948 1.8800 -1.4636 H 1 UNL1111111111 0.1257 51 H -3.3004 0.2878 -2.9466 H 1 UNL1111111111 0.1299 52 H -2.4351 -0.3167 -1.5225 H 1 UNL1111111111 0.1760 53 H -1.8907 2.3787 -1.2442 H 1 UNL1111111111 0.1655 54 H -2.0930 2.3186 -3.0010 H 1 UNL1111111111 0.1278 55 H -0.5069 0.1769 -2.9323 H 1 UNL1111111111 0.1592 56 H -0.2137 0.5875 -1.2071 H 1 UNL1111111111 0.2532 57 H -0.1125 3.7492 -1.6629 H 1 UNL1111111111 0.1657 58 H 0.8804 2.6926 -0.6076 H 1 UNL1111111111 0.2539 59 H 1.6702 3.6983 -1.8354 H 1 UNL1111111111 0.1794 60 H 1.2564 3.1366 -4.3362 H 1 UNL1111111111 0.1705 61 H 0.2541 1.7156 -4.7412 H 1 UNL1111111111 0.1719 62 H -0.4966 3.1651 -4.0274 H 1 UNL1111111111 0.1719 63 H 2.0746 0.6629 -1.6629 H 1 UNL1111111111 0.2524 64 H 1.8952 0.3867 -3.4212 H 1 UNL1111111111 0.1680 65 H 2.7953 1.8156 -2.8109 H 1 UNL1111111111 0.1754 66 H 4.6496 0.6187 -0.2795 H 1 UNL1111111111 0.1283 67 H 0.7517 2.6027 2.0471 H 1 UNL1111111111 0.1647 68 H 4.6223 3.0292 0.2023 H 1 UNL1111111111 0.1412 69 H 0.5448 -3.8747 0.4951 H 1 UNL1111111111 0.1617 70 H 4.7605 -3.7933 -0.3458 H 1 UNL1111111111 0.1500 71 H 4.7710 -1.3534 -0.0791 H 1 UNL1111111111 0.1417 72 H -1.1515 2.3449 0.6310 H 1 UNL1111111111 0.1361 73 H -3.1446 3.1067 1.8918 H 1 UNL1111111111 0.1301 74 H -3.9896 1.7704 3.8018 H 1 UNL1111111111 0.1377 75 H -2.7922 -0.2870 4.4955 H 1 UNL1111111111 0.1399 76 H -0.7730 -1.0297 3.2544 H 1 UNL1111111111 0.1602 77 H 3.5588 4.7837 1.5188 H 1 UNL1111111111 0.2688 78 H 2.0478 4.6197 2.1966 H 1 UNL1111111111 0.2746 79 H 1.8409 -5.8660 0.2658 H 1 UNL1111111111 0.2781 80 H 3.4833 -5.8567 -0.0541 H 1 UNL1111111111 0.2788 @BOND 1 1 2 1 2 1 22 1 3 1 37 1 4 1 38 1 5 2 3 1 6 2 39 1 7 2 40 1 8 3 4 1 9 3 41 1 10 3 42 1 11 4 5 1 12 4 43 1 13 4 44 1 14 5 6 1 15 5 45 1 16 5 46 1 17 6 7 1 18 6 47 1 19 6 48 1 20 7 8 1 21 7 49 1 22 7 50 1 23 8 9 1 24 8 51 1 25 8 52 1 26 9 10 1 27 9 53 1 28 9 54 1 29 10 11 1 30 10 55 1 31 10 56 1 32 11 12 1 33 11 13 1 34 11 14 1 35 12 57 1 36 12 58 1 37 12 59 1 38 13 60 1 39 13 61 1 40 13 62 1 41 14 63 1 42 14 64 1 43 14 65 1 44 15 16 ar 45 15 20 ar 46 15 66 1 47 16 17 ar 48 16 24 ar 49 17 18 ar 50 17 21 ar 51 18 19 ar 52 18 67 1 53 19 20 ar 54 19 35 1 55 20 68 1 56 21 22 ar 57 21 29 1 58 22 23 ar 59 23 24 ar 60 23 25 ar 61 24 28 ar 62 25 26 ar 63 25 69 1 64 26 27 ar 65 26 36 1 66 27 28 ar 67 27 70 1 68 28 71 1 69 29 30 ar 70 29 34 ar 71 30 31 ar 72 30 72 1 73 31 32 ar 74 31 73 1 75 32 33 ar 76 32 74 1 77 33 34 ar 78 33 75 1 79 34 76 1 80 35 77 1 81 35 78 1 82 36 79 1 83 36 80 1