@MOLECULE n-(4-butylphenyl)-2'-deoxyguanosine 5'-(tetrahydrogen triphosphate) 69 72 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -1.9234 1.3616 -0.3180 C.3 1 UNL1 0.0055 2 C 0.4256 1.4378 -0.4469 C.3 1 UNL1 0.3165 3 C -1.6024 2.1857 -1.5854 C.3 1 UNL1 0.1262 4 C 0.5226 -0.8894 -1.5907 C.ar 1 UNL1 0.1213 5 C 7.6443 -0.3995 -0.2499 C.ar 1 UNL1 -0.1615 6 C 8.9641 -0.7550 0.0035 C.ar 1 UNL1 -0.1481 7 C 8.9219 0.4870 2.0734 C.ar 1 UNL1 -0.1415 8 C 7.5989 0.8443 1.8404 C.ar 1 UNL1 -0.2171 9 C -2.7003 0.0577 -0.5692 C.3 1 UNL1 -0.0305 10 C 11.0309 -0.7095 1.4220 C.3 1 UNL1 -0.2917 11 C 11.9797 0.2502 0.6855 C.3 1 UNL1 -0.2607 12 C 13.4419 -0.1576 0.9030 C.3 1 UNL1 -0.2520 13 C 14.3869 0.8008 0.1786 C.3 1 UNL1 -0.4394 14 H -3.0936 3.4807 -1.4997 H 1 UNL1 0.3346 15 H 5.1817 -3.3747 -1.3991 H 1 UNL1 0.3489 16 H 5.3303 1.6989 0.8928 H 1 UNL1 0.3371 17 C 4.6263 0.0517 -0.0949 C.ar 1 UNL1 0.5766 18 C 3.9122 -1.9305 -1.1299 C.ar 1 UNL1 0.5362 19 C 6.9561 0.3907 0.6779 C.ar 1 UNL1 0.1883 20 C 9.6087 -0.3205 1.1640 C.ar 1 UNL1 -0.0077 21 O -7.8000 -2.2519 -1.2347 O.2 1 UNL1 -0.1248 22 O -5.0295 1.3590 -2.3364 O.2 1 UNL1 -0.2314 23 O -8.7383 -0.7659 3.1985 O.2 1 UNL1 -0.2182 24 C -0.0744 2.3330 -1.5903 C.3 1 UNL1 -0.3738 25 O -2.1133 3.4954 -1.4558 O.3 1 UNL1 -0.5579 26 O 4.2125 -3.1520 -1.5705 O.3 1 UNL1 -0.3788 27 O -5.7661 1.9326 0.0096 O.3 1 UNL1 -0.3527 28 O -8.6227 1.1876 1.5829 O.3 1 UNL1 -0.3072 29 O -6.4646 0.3497 2.5035 O.3 1 UNL1 -0.4657 30 O -5.7773 -2.5113 0.2939 O.3 1 UNL1 -0.3188 31 O -6.2953 -0.3385 -1.0374 O.3 1 UNL1 -0.1732 32 O -4.0499 0.1868 -0.1369 O.3 1 UNL1 -0.3579 33 O -7.7802 -1.0745 0.9173 O.3 1 UNL1 -0.1963 34 H -5.5851 1.6254 0.9789 H 1 UNL1 0.3380 35 H -8.0227 1.5682 0.8334 H 1 UNL1 0.3313 36 H -6.3035 0.3128 3.5013 H 1 UNL1 0.3260 37 H -5.1018 -1.9290 0.8092 H 1 UNL1 0.3287 38 O -0.6882 0.9883 0.2910 O.3 1 UNL1 -0.4222 39 N 3.3926 0.6611 -0.1276 N.ar 1 UNL1 -0.5846 40 N 4.9063 -1.2107 -0.5707 N.ar 1 UNL1 -0.6390 41 N 1.4015 -1.8631 -1.7795 N.ar 1 UNL1 -0.2884 42 N 5.6194 0.8183 0.4639 N.pl3 1 UNL1 -0.4579 43 P -6.9197 -1.5982 -0.2942 P.3 1 UNL1 0.4146 44 P -5.2462 0.8279 -1.0060 P.3 1 UNL1 0.3836 45 P -7.9596 -0.1268 2.1601 P.3 1 UNL1 0.4031 46 C 2.4299 -0.0861 -0.7072 C.ar 1 UNL1 0.3328 47 C 2.6107 -1.4152 -1.2498 C.ar 1 UNL1 -0.2134 48 N 1.1056 0.2425 -0.9481 N.ar 1 UNL1 -0.3950 49 H -2.4192 1.9922 0.4576 H 1 UNL1 0.1698 50 H 1.0923 1.9522 0.2951 H 1 UNL1 0.1784 51 H -2.0020 1.7437 -2.5210 H 1 UNL1 0.1382 52 H -2.5868 -0.3193 -1.6024 H 1 UNL1 0.1296 53 H -2.3465 -0.7375 0.1335 H 1 UNL1 0.1557 54 H 0.2026 3.3941 -1.4113 H 1 UNL1 0.1923 55 H 0.3725 2.0738 -2.5639 H 1 UNL1 0.1748 56 H -0.5147 -0.9000 -1.8800 H 1 UNL1 0.1918 57 H 7.1508 -0.7396 -1.1618 H 1 UNL1 0.1857 58 H 9.5000 -1.3764 -0.7127 H 1 UNL1 0.1550 59 H 9.4237 0.8366 2.9743 H 1 UNL1 0.1530 60 H 7.0683 1.4608 2.5616 H 1 UNL1 0.1583 61 H 11.2170 -1.7524 1.0942 H 1 UNL1 0.1495 62 H 11.2557 -0.7032 2.5071 H 1 UNL1 0.1475 63 H 11.7435 0.2599 -0.3953 H 1 UNL1 0.1417 64 H 11.8147 1.2859 1.0372 H 1 UNL1 0.1411 65 H 13.6755 -0.1723 1.9844 H 1 UNL1 0.1341 66 H 13.6050 -1.1914 0.5438 H 1 UNL1 0.1341 67 H 14.1982 0.8115 -0.9009 H 1 UNL1 0.1436 68 H 14.2727 1.8280 0.5427 H 1 UNL1 0.1434 69 H 15.4342 0.5145 0.3265 H 1 UNL1 0.1404 @BOND 1 55 24 1 2 51 3 1 3 22 44 2 4 56 4 1 5 41 4 ar 6 41 47 ar 7 52 9 1 8 4 48 ar 9 24 3 1 10 24 54 1 11 24 2 1 12 3 25 1 13 3 1 1 14 26 15 1 15 26 18 1 16 14 25 1 17 47 18 ar 18 47 46 ar 19 21 43 2 20 57 5 1 21 18 40 ar 22 31 44 1 23 31 43 1 24 44 32 1 25 44 27 1 26 48 46 ar 27 48 2 1 28 67 13 1 29 58 6 1 30 46 39 ar 31 40 17 ar 32 9 1 1 33 9 32 1 34 9 53 1 35 2 38 1 36 2 50 1 37 63 11 1 38 1 38 1 39 1 49 1 40 43 30 1 41 43 33 1 42 5 6 ar 43 5 19 ar 44 39 17 ar 45 17 42 1 46 6 20 ar 47 27 34 1 48 13 69 1 49 13 68 1 50 13 12 1 51 30 37 1 52 42 19 1 53 42 16 1 54 66 12 1 55 19 8 ar 56 11 12 1 57 11 64 1 58 11 10 1 59 35 28 1 60 12 65 1 61 33 45 1 62 61 10 1 63 20 10 1 64 20 7 ar 65 10 62 1 66 28 45 1 67 8 7 ar 68 8 60 1 69 7 59 1 70 45 29 1 71 45 23 2 72 29 36 1