@MOLECULE 2-[(4-butylphenyl)amino]-2'-deoxyadenosine 5'-(tetrahydrogen triphosphate) 70 73 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 0.1404 0.2827 -0.9584 C.3 1 UNL1 0.3186 2 C -2.2085 0.1642 -0.8586 C.3 1 UNL1 0.0117 3 C -1.8044 -0.5373 -2.1772 C.3 1 UNL1 0.1280 4 C 0.3709 -1.8976 0.4393 C.ar 1 UNL1 0.1187 5 C 7.4345 -0.3541 0.2343 C.ar 1 UNL1 -0.1707 6 C 7.4115 2.0778 0.2211 C.ar 1 UNL1 -0.2251 7 C 8.8029 -0.3282 0.4742 C.ar 1 UNL1 -0.1447 8 C 8.7824 2.0849 0.4517 C.ar 1 UNL1 -0.1381 9 C -2.9162 -0.7308 0.1729 C.3 1 UNL1 -0.0401 10 C 10.9618 0.8925 0.8290 C.3 1 UNL1 -0.2900 11 C 11.7125 0.6470 -0.4900 C.3 1 UNL1 -0.2608 12 C 13.2261 0.5910 -0.2517 C.3 1 UNL1 -0.2524 13 C 13.9710 0.3075 -1.5561 C.3 1 UNL1 -0.4394 14 H -3.3673 -0.1742 -3.3292 H 1 UNL1 0.3421 15 H 4.9964 1.7405 -0.6502 H 1 UNL1 0.3375 16 H 5.1802 -3.1073 2.4490 H 1 UNL1 0.3230 17 H 3.5581 -3.7083 2.4483 H 1 UNL1 0.3270 18 C 3.8296 -1.9857 1.3730 C.ar 1 UNL1 0.5046 19 C 4.4055 -0.0127 0.2238 C.ar 1 UNL1 0.5830 20 C 6.7331 0.8522 0.1157 C.ar 1 UNL1 0.2019 21 C 9.4851 0.8859 0.5844 C.ar 1 UNL1 -0.0163 22 O -5.1361 -1.1386 -2.3125 O.2 1 UNL1 -0.2682 23 O -8.9727 -0.5838 0.3751 O.2 1 UNL1 -0.1224 24 O -7.0699 3.6348 1.2337 O.2 1 UNL1 -0.1429 25 C -0.3001 -0.2666 -2.3227 C.3 1 UNL1 -0.3771 26 O -2.4256 0.1067 -3.2660 O.3 1 UNL1 -0.5605 27 O -5.1326 -2.9070 -0.5157 O.3 1 UNL1 -0.3417 28 O -7.1703 -0.8602 2.1614 O.3 1 UNL1 -0.3396 29 O -6.1956 2.7213 -0.9712 O.3 1 UNL1 -0.3381 30 O -4.9695 2.2301 1.2236 O.3 1 UNL1 -0.3571 31 O -4.3303 -0.5664 0.1075 O.3 1 UNL1 -0.3657 32 O -6.7023 -0.8949 -0.3847 O.3 1 UNL1 -0.1878 33 O -7.2600 1.2389 0.7979 O.3 1 UNL1 -0.2913 34 H -5.5385 -3.0778 0.4101 H 1 UNL1 0.3205 35 H -6.3813 -0.3113 2.5264 H 1 UNL1 0.3289 36 H -6.0583 1.8135 -1.4247 H 1 UNL1 0.3309 37 H -4.4980 1.4664 0.7303 H 1 UNL1 0.3275 38 O -1.0141 0.6279 -0.2264 O.3 1 UNL1 -0.4239 39 N 4.2293 -3.0293 2.1463 N.pl3 1 UNL1 -0.5558 40 N 3.1333 0.2701 -0.2292 N.ar 1 UNL1 -0.6010 41 N 1.3173 -2.5512 1.1022 N.ar 1 UNL1 -0.3290 42 N 4.7775 -1.0804 1.0000 N.ar 1 UNL1 -0.6277 43 N 5.3485 0.9064 -0.1773 N.pl3 1 UNL1 -0.4642 44 P -5.3042 -1.3752 -0.8895 P.3 1 UNL1 0.3876 45 P -7.6205 -0.2721 0.7653 P.3 1 UNL1 0.4253 46 P -6.3831 2.5411 0.5878 P.3 1 UNL1 0.4222 47 C 2.2196 -0.6510 0.1411 C.ar 1 UNL1 0.3469 48 C 2.4900 -1.8147 0.9406 C.ar 1 UNL1 -0.2563 49 N 0.8713 -0.7194 -0.1820 N.ar 1 UNL1 -0.3975 50 H 0.7547 1.2221 -1.0031 H 1 UNL1 0.1819 51 H -0.6616 -2.1884 0.3527 H 1 UNL1 0.1883 52 H -2.7889 1.0949 -1.0663 H 1 UNL1 0.1730 53 H -0.1260 0.4799 -3.1264 H 1 UNL1 0.1925 54 H 0.2641 -1.1628 -2.6273 H 1 UNL1 0.1739 55 H -2.0489 -1.6178 -2.2064 H 1 UNL1 0.1339 56 H -2.5748 -1.7809 0.1293 H 1 UNL1 0.1235 57 H -2.7177 -0.3481 1.2047 H 1 UNL1 0.1525 58 H 6.9147 -1.3097 0.1446 H 1 UNL1 0.1887 59 H 6.8718 3.0172 0.1333 H 1 UNL1 0.1577 60 H 9.3480 -1.2656 0.5729 H 1 UNL1 0.1523 61 H 9.3093 3.0342 0.5317 H 1 UNL1 0.1509 62 H 11.2364 0.1168 1.5722 H 1 UNL1 0.1482 63 H 11.2899 1.8512 1.2768 H 1 UNL1 0.1460 64 H 11.3643 -0.2958 -0.9529 H 1 UNL1 0.1415 65 H 11.4683 1.4446 -1.2164 H 1 UNL1 0.1413 66 H 13.5773 1.5451 0.1846 H 1 UNL1 0.1338 67 H 13.4646 -0.1897 0.4952 H 1 UNL1 0.1335 68 H 13.6690 -0.6524 -1.9898 H 1 UNL1 0.1432 69 H 13.7764 1.0831 -2.3054 H 1 UNL1 0.1435 70 H 15.0539 0.2697 -1.3954 H 1 UNL1 0.1396 @BOND 1 14 26 1 2 26 3 1 3 53 25 1 4 54 25 1 5 25 3 1 6 25 1 1 7 22 44 2 8 69 13 1 9 55 3 1 10 3 2 1 11 68 13 1 12 13 70 1 13 13 12 1 14 36 29 1 15 65 11 1 16 52 2 1 17 50 1 1 18 29 46 1 19 1 38 1 20 1 49 1 21 64 11 1 22 44 27 1 23 44 32 1 24 44 31 1 25 2 38 1 26 2 9 1 27 15 43 1 28 27 34 1 29 11 12 1 30 11 10 1 31 32 45 1 32 12 66 1 33 12 67 1 34 40 47 ar 35 40 19 ar 36 49 47 ar 37 49 4 ar 38 43 20 1 39 43 19 1 40 31 9 1 41 20 6 ar 42 20 5 ar 43 56 9 1 44 59 6 1 45 47 48 ar 46 58 5 1 47 9 57 1 48 6 8 ar 49 19 42 ar 50 5 7 ar 51 51 4 1 52 23 45 2 53 4 41 ar 54 8 61 1 55 8 21 ar 56 7 60 1 57 7 21 ar 58 21 10 1 59 46 33 1 60 46 30 1 61 46 24 2 62 37 30 1 63 45 33 1 64 45 28 1 65 10 63 1 66 10 62 1 67 48 41 ar 68 48 18 ar 69 42 18 ar 70 18 39 1 71 39 17 1 72 39 16 1 73 28 35 1