@MOLECULE deoxyguanosine triphosphate 47 49 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 P 0.8806 -2.5268 0.4558 P.3 1 UNL1 0.3773 2 P 3.3263 -0.7314 0.3486 P.3 1 UNL1 0.4269 3 P 2.1937 1.2769 -1.7118 P.3 1 UNL1 0.4012 4 O -2.8794 -1.2610 0.7671 O.3 1 UNL1 -0.4343 5 O -4.4266 -3.2174 -1.2801 O.3 1 UNL1 -0.5347 6 O -0.2116 -1.3986 0.0761 O.3 1 UNL1 -0.3533 7 O 2.2641 -1.9178 0.0871 O.3 1 UNL1 -0.1260 8 O 0.7847 -2.3274 2.0430 O.3 1 UNL1 -0.3768 9 O 0.7134 -3.8507 -0.1110 O.2 1 UNL1 -0.2696 10 O -0.3687 4.5937 0.3946 O.2 1 UNL1 -0.3970 11 O 2.7515 0.4394 -0.4808 O.3 1 UNL1 -0.3261 12 O 4.4710 -1.4577 -0.4616 O.3 1 UNL1 -0.2487 13 O 3.6816 -0.3196 1.6864 O.2 1 UNL1 -0.2129 14 O 0.6484 0.9233 -1.7526 O.3 1 UNL1 -0.3606 15 O 2.3793 2.7025 -1.0692 O.3 1 UNL1 -0.2559 16 O 2.8319 1.0900 -2.9949 O.2 1 UNL1 -0.1970 17 N -3.2902 0.9863 0.2992 N.ar 1 UNL1 -0.4081 18 N -1.1459 0.7266 1.5652 N.ar 1 UNL1 -0.5162 19 N -3.0146 3.1555 -0.3224 N.ar 1 UNL1 -0.2549 20 N 0.3203 2.6429 1.3224 N.ar 1 UNL1 -0.6889 21 N 0.9605 0.8046 2.6343 N.pl3 1 UNL1 -0.5464 22 C -3.6708 -2.0408 -1.3395 C.3 1 UNL1 0.1276 23 C -3.8911 -0.3470 0.4142 C.3 1 UNL1 0.3078 24 C -2.4958 -2.0817 -0.3387 C.3 1 UNL1 0.0056 25 C -4.5066 -0.8170 -0.9153 C.3 1 UNL1 -0.4092 26 C -1.1891 -1.5528 -0.9484 C.3 1 UNL1 -0.0309 27 C -2.0611 1.4051 0.7866 C.ar 1 UNL1 0.2481 28 C -3.8427 2.1160 -0.3737 C.ar 1 UNL1 0.0529 29 C -1.8946 2.7519 0.3784 C.ar 1 UNL1 -0.1964 30 C -0.6446 3.4573 0.6713 C.ar 1 UNL1 0.6198 31 C 0.0742 1.4336 1.7843 C.ar 1 UNL1 0.5926 32 H -3.3583 -2.0144 -2.4059 H 1 UNL1 0.1642 33 H -4.5917 -0.3562 1.2889 H 1 UNL1 0.1597 34 H -2.3796 -3.0874 0.1249 H 1 UNL1 0.1737 35 H -5.5717 -1.0904 -0.8014 H 1 UNL1 0.1815 36 H -4.4877 -0.0388 -1.6994 H 1 UNL1 0.1820 37 H -1.3017 -0.4979 -1.2957 H 1 UNL1 0.1514 38 H -0.8810 -2.1684 -1.8195 H 1 UNL1 0.1542 39 H -4.7515 -3.3992 -0.3732 H 1 UNL1 0.3211 40 H -4.8152 2.0953 -0.8293 H 1 UNL1 0.1913 41 H -1.1942 -0.2885 1.6271 H 1 UNL1 0.3568 42 H 0.0525 -2.9323 2.4133 H 1 UNL1 0.3107 43 H 0.9280 -0.2026 2.6959 H 1 UNL1 0.3147 44 H 1.9077 1.1752 2.6533 H 1 UNL1 0.3326 45 H 4.1366 -1.6456 -1.4245 H 1 UNL1 0.3251 46 H 0.2741 0.7690 -0.8182 H 1 UNL1 0.3157 47 H 1.9015 2.7347 -0.1404 H 1 UNL1 0.3491 @BOND 1 16 3 2 2 32 22 1 3 38 26 1 4 14 3 1 5 14 46 1 6 3 15 1 7 3 11 1 8 36 25 1 9 45 12 1 10 22 5 1 11 22 25 1 12 22 24 1 13 37 26 1 14 5 39 1 15 15 47 1 16 26 24 1 17 26 6 1 18 25 35 1 19 25 23 1 20 40 28 1 21 11 2 1 22 12 2 1 23 28 19 ar 24 28 17 ar 25 24 34 1 26 24 4 1 27 19 29 ar 28 9 1 2 29 6 1 1 30 7 2 1 31 7 1 1 32 17 23 1 33 17 27 ar 34 2 13 2 35 29 30 ar 36 29 27 ar 37 10 30 2 38 23 4 1 39 23 33 1 40 1 8 1 41 30 20 ar 42 27 18 ar 43 20 31 ar 44 18 41 1 45 18 31 ar 46 31 21 1 47 8 42 1 48 21 44 1 49 21 43 1