@MOLECULE 3'-amino-3'-deoxythymidine 5'-(dihydrogen phosphate) 37 38 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 P -3.0772 -0.7868 -0.0771 P.3 1 UNL1 0.3516 2 O 0.1712 1.6961 1.2659 O.3 1 UNL1 -0.4044 3 O -2.0877 0.3755 0.3686 O.3 1 UNL1 -0.2025 4 O 3.7827 0.8704 -0.4991 O.2 1 UNL1 -0.5405 5 O -2.1535 -1.7147 -0.9871 O.3 1 UNL1 -0.3262 6 O -4.0433 -0.1746 -1.2004 O.3 1 UNL1 -0.4364 7 O 2.7266 -3.5313 -0.6186 O.2 1 UNL1 -0.4827 8 O -3.6987 -1.3636 1.0997 O.2 1 UNL1 -0.2493 9 N 1.8072 0.2391 0.4632 N.ar 1 UNL1 -0.5164 10 N -0.0160 4.5475 -0.0933 N.3 1 UNL1 -0.6543 11 N 3.2601 -1.3537 -0.5544 N.ar 1 UNL1 -0.6294 12 C 0.1703 3.1785 -0.5847 C.3 1 UNL1 0.0267 13 C -0.7026 2.2185 0.2689 C.3 1 UNL1 0.0719 14 C 1.5999 2.6053 -0.3993 C.3 1 UNL1 -0.4009 15 C 1.4986 1.6554 0.8079 C.3 1 UNL1 0.3241 16 C -1.2836 1.0914 -0.6009 C.3 1 UNL1 -0.0891 17 C 0.9535 -0.7837 0.8617 C.ar 1 UNL1 0.1334 18 C 3.0110 -0.0254 -0.2161 C.ar 1 UNL1 0.6994 19 C 1.2037 -2.0757 0.5305 C.ar 1 UNL1 -0.2386 20 C 2.3886 -2.4370 -0.2336 C.ar 1 UNL1 0.6052 21 C 0.2843 -3.1796 0.9012 C.3 1 UNL1 -0.3995 22 H -0.1264 3.1625 -1.6612 H 1 UNL1 0.1525 23 H -1.4896 2.7283 0.8683 H 1 UNL1 0.1776 24 H 1.9441 2.0937 -1.3164 H 1 UNL1 0.1864 25 H 2.3544 3.3894 -0.2265 H 1 UNL1 0.1717 26 H 2.1216 1.9493 1.6879 H 1 UNL1 0.1552 27 H -0.4844 0.4414 -1.0116 H 1 UNL1 0.1509 28 H -1.8757 1.5173 -1.4363 H 1 UNL1 0.1436 29 H 0.4906 5.2281 -0.6345 H 1 UNL1 0.2587 30 H 0.2233 4.6482 0.8806 H 1 UNL1 0.2604 31 H 0.0708 -0.4821 1.4537 H 1 UNL1 0.2138 32 H 4.1271 -1.5561 -1.0577 H 1 UNL1 0.3448 33 H -0.4098 -3.4074 0.0732 H 1 UNL1 0.1691 34 H -0.3357 -2.9411 1.7772 H 1 UNL1 0.1585 35 H 0.8296 -4.1104 1.1235 H 1 UNL1 0.1642 36 H -2.7476 -2.1941 -1.6748 H 1 UNL1 0.3201 37 H -4.8775 0.2109 -0.7647 H 1 UNL1 0.3303 @BOND 1 36 5 1 2 22 12 1 3 28 16 1 4 24 14 1 5 6 37 1 6 6 1 1 7 32 11 1 8 27 16 1 9 5 1 1 10 29 10 1 11 7 20 2 12 16 13 1 13 16 3 1 14 12 14 1 15 12 10 1 16 12 13 1 17 11 20 ar 18 11 18 ar 19 4 18 2 20 14 25 1 21 14 15 1 22 20 19 ar 23 18 9 ar 24 10 30 1 25 1 3 1 26 1 8 2 27 33 21 1 28 13 23 1 29 13 2 1 30 9 15 1 31 9 17 ar 32 19 17 ar 33 19 21 1 34 15 2 1 35 15 26 1 36 17 31 1 37 21 35 1 38 21 34 1