@MOLECULE 5'-o-(n-acetyl-l-phenylalanyl)adenosine 57 60 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 2.7366 -1.0954 -0.9792 C.3 1 UNL1 0.2363 2 C 3.3169 -2.0945 0.0712 C.3 1 UNL1 0.0320 3 C 2.2404 -3.2033 0.1454 C.3 1 UNL1 0.0930 4 C 0.9649 -2.4693 -0.3363 C.3 1 UNL1 0.0245 5 C -3.0807 -0.7555 -0.5505 C.3 1 UNL1 0.0531 6 C 1.7748 1.2315 -0.3285 C.ar 1 UNL1 0.1638 7 C 6.1811 1.2982 0.3398 C.ar 1 UNL1 0.3063 8 C -4.8044 1.9941 0.6544 C.ar 1 UNL1 -0.1701 9 C -4.1198 2.0236 -1.6634 C.ar 1 UNL1 -0.1820 10 C -5.8801 2.8229 0.3472 C.ar 1 UNL1 -0.1425 11 C -5.1993 2.8494 -1.9677 C.ar 1 UNL1 -0.1424 12 C -6.0816 3.2479 -0.9649 C.ar 1 UNL1 -0.1647 13 C 0.1723 -1.8716 0.8252 C.3 1 UNL1 -0.0670 14 C -2.7928 0.6657 -0.0198 C.3 1 UNL1 -0.3090 15 C -6.1209 -1.8258 1.4913 C.3 1 UNL1 -0.5286 16 H 5.1987 -1.8931 -0.4123 H 1 UNL1 0.3663 17 H 3.3173 -4.1701 -1.2026 H 1 UNL1 0.3465 18 H 5.2845 4.9579 1.2832 H 1 UNL1 0.3246 19 H 3.5879 4.7907 0.9821 H 1 UNL1 0.3301 20 H -5.0135 -1.5627 -0.8487 H 1 UNL1 0.3185 21 C 4.6895 3.0931 0.6507 C.ar 1 UNL1 0.4685 22 C -3.9251 1.5866 -0.3512 C.ar 1 UNL1 0.0233 23 O -2.0822 -2.9491 -0.1283 O.2 1 UNL1 -0.4899 24 O -3.9511 -0.9859 2.0788 O.2 1 UNL1 -0.5354 25 O 4.5181 -2.6244 -0.4121 O.3 1 UNL1 -0.5450 26 O 2.4676 -4.2845 -0.7152 O.3 1 UNL1 -0.5291 27 C -2.0083 -1.7513 -0.0938 C.2 1 UNL1 0.5726 28 C -4.7325 -1.3245 1.2163 C.2 1 UNL1 0.6252 29 O -0.9010 -1.0872 0.3203 O.3 1 UNL1 -0.3977 30 O 1.3869 -1.4057 -1.1957 O.3 1 UNL1 -0.3832 31 N 4.5076 4.3899 1.0042 N.pl3 1 UNL1 -0.5467 32 N -4.3808 -1.2652 -0.1257 N.am 1 UNL1 -0.6169 33 N 2.2489 2.4004 0.0981 N.ar 1 UNL1 -0.3489 34 N 5.2569 0.4007 -0.0673 N.ar 1 UNL1 -0.5497 35 N 5.9614 2.5879 0.6895 N.ar 1 UNL1 -0.5705 36 C 3.9927 0.9028 -0.1126 C.ar 1 UNL1 0.2670 37 C 3.6263 2.2425 0.2443 C.ar 1 UNL1 -0.1930 38 N 2.8109 0.2749 -0.4735 N.ar 1 UNL1 -0.3901 39 H 3.2402 -1.1592 -1.9783 H 1 UNL1 0.1742 40 H 3.4958 -1.6234 1.0615 H 1 UNL1 0.1521 41 H 2.1433 -3.6548 1.1541 H 1 UNL1 0.1549 42 H 0.3358 -3.1063 -1.0014 H 1 UNL1 0.1925 43 H 0.7412 0.9854 -0.5445 H 1 UNL1 0.2199 44 H -0.2124 -2.6536 1.5075 H 1 UNL1 0.1579 45 H 0.7479 -1.1173 1.3967 H 1 UNL1 0.1577 46 H 7.2281 0.9504 0.3953 H 1 UNL1 0.2010 47 H -3.0558 -0.7368 -1.6783 H 1 UNL1 0.1651 48 H -2.6163 0.6271 1.0819 H 1 UNL1 0.1969 49 H -1.8380 1.0395 -0.4461 H 1 UNL1 0.1708 50 H -4.6496 1.6561 1.6802 H 1 UNL1 0.1664 51 H -3.4277 1.7243 -2.4471 H 1 UNL1 0.1524 52 H -6.5634 3.1400 1.1330 H 1 UNL1 0.1489 53 H -5.3527 3.1876 -2.9904 H 1 UNL1 0.1464 54 H -6.9235 3.8929 -1.2051 H 1 UNL1 0.1489 55 H -6.3263 -1.7886 2.5746 H 1 UNL1 0.1904 56 H -6.8878 -1.2180 0.9937 H 1 UNL1 0.1748 57 H -6.2480 -2.8700 1.1743 H 1 UNL1 0.1796 @BOND 1 53 11 1 2 51 9 1 3 39 1 1 4 11 9 ar 5 11 12 ar 6 47 5 1 7 9 22 ar 8 54 12 1 9 17 26 1 10 30 1 1 11 30 4 1 12 42 4 1 13 1 38 1 14 1 2 1 15 12 10 ar 16 20 32 1 17 26 3 1 18 5 32 1 19 5 27 1 20 5 14 1 21 43 6 1 22 38 6 ar 23 38 36 ar 24 49 14 1 25 16 25 1 26 25 2 1 27 22 14 1 28 22 8 ar 29 4 3 1 30 4 13 1 31 6 33 ar 32 23 27 2 33 32 28 am 34 36 34 ar 35 36 37 ar 36 27 29 1 37 34 7 ar 38 14 48 1 39 2 3 1 40 2 40 1 41 33 37 ar 42 3 41 1 43 37 21 ar 44 29 13 1 45 7 46 1 46 7 35 ar 47 10 8 ar 48 10 52 1 49 21 35 ar 50 21 31 1 51 8 50 1 52 13 45 1 53 13 44 1 54 19 31 1 55 56 15 1 56 31 18 1 57 57 15 1 58 28 15 1 59 28 24 2 60 15 55 1