@MOLECULE n-(6-aminohexyl)adenosine 5'-(dihydrogen phosphate) 57 59 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 P 2.0940 2.8807 -0.0860 P.3 1 UNL1 0.3117 2 O 3.3336 0.0916 1.4379 O.3 1 UNL1 -0.4469 3 O 4.2289 -2.9094 1.8758 O.3 1 UNL1 -0.5487 4 O 5.9844 -1.5727 0.5794 O.3 1 UNL1 -0.5347 5 O 3.4596 2.2149 -0.6075 O.3 1 UNL1 -0.2832 6 O 1.7615 2.2728 1.3460 O.3 1 UNL1 -0.3943 7 O 0.9223 2.3744 -1.0374 O.3 1 UNL1 -0.3444 8 O 2.2616 4.3203 -0.1275 O.2 1 UNL1 -0.1354 9 N 1.3824 -1.0616 0.9691 N.ar 1 UNL1 -0.4001 10 N -0.7414 -0.2470 0.8123 N.ar 1 UNL1 -0.3311 11 N 1.6153 -1.9144 -1.3529 N.ar 1 UNL1 -0.5603 12 N -2.2932 -0.5338 -1.9775 N.pl3 1 UNL1 -0.4422 13 N -0.3774 -1.6034 -2.6812 N.ar 1 UNL1 -0.5844 14 N -9.9770 -0.0413 2.0672 N.3 1 UNL1 -0.6478 15 C 3.6442 -2.1857 0.8198 C.3 1 UNL1 0.0424 16 C 4.7014 -1.3073 0.0874 C.3 1 UNL1 0.0634 17 C 2.7169 -1.1750 1.5362 C.3 1 UNL1 0.2725 18 C 4.2821 0.1500 0.3696 C.3 1 UNL1 0.0290 19 C 3.6782 0.8330 -0.8663 C.3 1 UNL1 -0.0747 20 C 0.9601 -1.3060 -0.3344 C.ar 1 UNL1 0.3042 21 C 0.3028 -0.3804 1.6138 C.ar 1 UNL1 0.1535 22 C -0.3818 -0.7984 -0.4200 C.ar 1 UNL1 -0.2237 23 C -1.0541 -0.9627 -1.6622 C.ar 1 UNL1 0.4575 24 C -4.6189 -0.3527 -1.2002 C.3 1 UNL1 -0.2955 25 C -3.1786 0.1568 -1.0317 C.3 1 UNL1 -0.0876 26 C -5.4855 0.1911 -0.0581 C.3 1 UNL1 -0.2614 27 C -6.9498 -0.2265 -0.2410 C.3 1 UNL1 -0.2756 28 C 0.8817 -2.0346 -2.4872 C.ar 1 UNL1 0.3161 29 C -7.7708 0.1451 0.9977 C.3 1 UNL1 -0.2864 30 C -9.2560 -0.1957 0.7826 C.3 1 UNL1 -0.1040 31 H 4.9880 -3.4445 1.5453 H 1 UNL1 0.3420 32 H 6.0407 -1.3777 1.5449 H 1 UNL1 0.3304 33 H 2.3051 1.4201 1.4915 H 1 UNL1 0.3355 34 H 0.5840 1.4599 -0.7450 H 1 UNL1 0.3071 35 H -2.6488 -0.7075 -2.9140 H 1 UNL1 0.3296 36 H -10.9557 -0.2551 1.9733 H 1 UNL1 0.2470 37 H -9.8815 0.8870 2.4431 H 1 UNL1 0.2458 38 H 3.1220 -2.8971 0.1455 H 1 UNL1 0.1818 39 H 4.7874 -1.5541 -0.9921 H 1 UNL1 0.1717 40 H 2.6408 -1.3650 2.6415 H 1 UNL1 0.1846 41 H 5.1045 0.7627 0.8077 H 1 UNL1 0.1759 42 H 4.4460 0.8993 -1.6762 H 1 UNL1 0.1561 43 H 2.8159 0.2751 -1.2724 H 1 UNL1 0.1414 44 H 0.3754 -0.0363 2.6366 H 1 UNL1 0.2078 45 H -4.6371 -1.4606 -1.1915 H 1 UNL1 0.1526 46 H -5.0317 -0.0455 -2.1781 H 1 UNL1 0.1407 47 H -3.1166 1.2554 -1.2194 H 1 UNL1 0.1574 48 H -2.8407 0.0019 0.0236 H 1 UNL1 0.1939 49 H -5.4111 1.2942 -0.0081 H 1 UNL1 0.1411 50 H -5.1052 -0.1827 0.9141 H 1 UNL1 0.1490 51 H -7.0159 -1.3166 -0.4213 H 1 UNL1 0.1406 52 H -7.3728 0.2565 -1.1411 H 1 UNL1 0.1348 53 H 1.3710 -2.5350 -3.3423 H 1 UNL1 0.2006 54 H -7.6544 1.2179 1.2345 H 1 UNL1 0.1369 55 H -7.3968 -0.4018 1.8878 H 1 UNL1 0.1603 56 H -9.6801 0.4310 -0.0299 H 1 UNL1 0.1057 57 H -9.3610 -1.2573 0.4650 H 1 UNL1 0.1415 @BOND 1 53 28 1 2 35 12 1 3 13 28 ar 4 13 23 ar 5 28 11 ar 6 46 24 1 7 12 23 1 8 12 25 1 9 42 19 1 10 23 22 ar 11 11 20 ar 12 43 19 1 13 47 25 1 14 24 45 1 15 24 25 1 16 24 26 1 17 52 27 1 18 7 34 1 19 7 1 1 20 25 48 1 21 39 16 1 22 19 5 1 23 19 18 1 24 5 1 1 25 51 27 1 26 22 20 ar 27 22 10 ar 28 20 9 ar 29 27 26 1 30 27 29 1 31 8 1 2 32 1 6 1 33 26 49 1 34 26 50 1 35 56 30 1 36 16 18 1 37 16 4 1 38 16 15 1 39 38 15 1 40 18 41 1 41 18 2 1 42 57 30 1 43 4 32 1 44 30 29 1 45 30 14 1 46 10 21 ar 47 15 17 1 48 15 3 1 49 9 17 1 50 9 21 ar 51 29 54 1 52 29 55 1 53 6 33 1 54 2 17 1 55 17 40 1 56 31 3 1 57 21 44 1 58 36 14 1 59 14 37 1