






                                            TABLE








                                                                                      

                                                                                      

                                                                                      

                                                                                      

                                                                                      

                   b) Model with asymmetric base-pair                                 
1




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             Group      Atom      x(nm)     y(nm)     z(nm)     r(nm)   phi(deg)
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            PHOSPHATE   P        0.3234    0.7619   -0.4486    0.8277     67.00
                        O1       0.2059    0.6729   -0.4351    0.7037     72.99
                        O2       0.3307    0.8412   -0.5733    0.9039     68.54
                        O3       0.3314    0.8597   -0.3222    0.9214     68.92
                        O5       0.4576    0.6767   -0.4313    0.8169     55.93


            SUGAR       C1       0.7259    0.4584   -0.2256    0.8585     32.27
                        C2       0.7738    0.4252   -0.3665    0.8829     28.79
                        C3       0.6891    0.5183   -0.4531    0.8623     36.95
                        C4       0.6883    0.6437   -0.3655    0.9424     43.08
                        C5       0.5794    0.7446   -0.3957    0.9435     52.11
                        O4       0.6720    0.5896   -0.2311    0.8940     41.26
                        O2       0.9106    0.4618   -0.3721    1.0210     26.89
                        H1       0.8115    0.4578   -0.1566    0.9317     29.43
                        H2       0.7484    0.3206   -0.3895    0.8142     23.19
                        H3       0.5864    0.4803   -0.4637    0.7580     39.32
                        H4       0.7865    0.6929   -0.3709    1.0482     41.38
                        H15      0.6112    0.8091   -0.4790    1.0140     52.93
                        H25      0.5619    0.8073   -0.3070    0.9836     55.16


            URACIL      N1       0.6205    0.3660   -0.1749    0.7204     30.53
                        C2       0.6620    0.2441   -0.1269    0.7056     20.24
                        S2       0.8226    0.1975   -0.1236    0.8460     13.50
                        N3       0.5617    0.1612   -0.0808    0.5844     16.01
                        C4       0.4266    0.1894   -0.0788    0.4668     23.94
                        O4       0.3460    0.1070   -0.0349    0.3622     17.18
                        C5       0.3928    0.3196   -0.1312    0.5064     39.13
                        C6       0.4884    0.4022   -0.1767    0.6327     39.47
                        H5       0.2971    0.3486   -0.1336    0.4580     49.56
                        H6       0.4627    0.4920   -0.2126    0.6754     46.76


            PHOSPHATE   P        0.3533   -0.8158    0.3118    0.8890    -66.58
                        O1       0.2251   -0.7465    0.3374    0.7797    -73.22
                        O2       0.3885   -0.9243    0.4062    1.0026    -67.20
                        O3       0.3549   -0.8724    0.1621    0.9418    -67.86
                        O5       0.4721   -0.7087    0.3064    0.8515    -56.33


            RIBOSE      C1       0.6262   -0.4088    0.1145    0.7478    -33.14
                        C2       0.7130   -0.3879    0.2381    0.8117    -28.55
                        C3       0.6766   -0.5123    0.3189    0.8487    -37.13
                        C4       0.6747   -0.6187    0.2091    0.9154    -42.52
                        C5       0.5948   -0.7437    0.2397    0.9523    -51.35
                        O4       0.6112   -0.5489    0.0981    0.8215    -41.93
                        O2       0.8478   -0.3923    0.1949    0.9342    -24.83
                        H1       0.6802   -0.3741    0.0253    0.7763    -28.81
                        H2       0.6797   -0.2977    0.2915    0.7420    -23.65
                        H3       0.5761   -0.5001    0.3619    0.7629    -40.96
                        H4       0.7779   -0.6465    0.1832    1.0115    -39.73
                        H15      0.6538   -0.8103    0.3043    1.0412    -51.10
                        H25      0.5717   -0.7965    0.1459    0.9804    -54.33


            URACIL      N1       0.4938   -0.3406    0.1221    0.5999    -34.60
                        C2       0.4869   -0.2122    0.0738    0.5311    -23.55
                        S2       0.6184   -0.1321    0.0085    0.6324    -12.06
                        N3       0.3627   -0.1523    0.0824    0.3934    -22.77
                        C4       0.2479   -0.2088    0.1341    0.3241    -40.10
                        O4       0.1423   -0.1452    0.1365    0.2033    -45.56
                        C5       0.2652   -0.3438    0.1823    0.4342    -52.35
                        C6       0.3848   -0.4045    0.1751    0.5583    -46.43
                        H5       0.1872   -0.3927    0.2215    0.4350    -64.51
                        H6       0.3944   -0.4980    0.2091    0.6353    -51.62


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