






                                            TABLE








                 Cartesian and cylindrical polar coordinates of atoms in a            

              five base-pair repeat in B-DNA.  Successive repeating units             

              can be generated by adding multiples of 180.0 degrees to phi            

              and the same multiple of 1.6864 nm to z.                                
1




            --------------------------------------------------------------------
             Group      Atom      x(nm)     y(nm)     z(nm)     r(nm)   phi(deg)
            --------------------------------------------------------------------


             PHOSPHATE  P       -0.7911    0.5280    0.7334    0.9512    146.28
                        O1      -0.8872    0.4337    0.6719    0.9875    153.95
                        O2      -0.8404    0.6659    0.7553    1.0722    141.61
                        O3      -0.7376    0.4676    0.8716    0.8733    147.62
                        O5      -0.6568    0.5322    0.6466    0.8454    140.99


             SUGAR      C1      -0.3367    0.4021    0.4960    0.5245    129.95
                        C2      -0.4443    0.4581    0.4035    0.6381    134.13
                        C3      -0.4466    0.6016    0.4561    0.7492    126.59
                        C4      -0.4240    0.5854    0.6064    0.7229    125.91
                        C5      -0.5452    0.6095    0.6943    0.8177    131.81
                        O4      -0.3763    0.4489    0.6239    0.5858    129.97
                        H1      -0.2395    0.4417    0.4668    0.5024    118.47
                        H12     -0.5405    0.4106    0.4231    0.6787    142.77
                        H22     -0.4101    0.4578    0.3000    0.6146    131.85
                        H3      -0.5387    0.6574    0.4390    0.8499    129.33
                        H4      -0.3426    0.6506    0.6381    0.7352    117.77
                        H15     -0.5709    0.7154    0.6926    0.9153    128.59
                        H25     -0.5220    0.5805    0.7968    0.7807    131.96


            CYTOSINE 1  N1      -0.3312    0.2532    0.4981    0.4169    142.60
                        C2      -0.2057    0.1930    0.5011    0.2821    136.82
                        O2      -0.1050    0.2649    0.5019    0.2850    111.62
                        N3      -0.1984    0.0574    0.5031    0.2066    163.85
                        C4      -0.3098   -0.0169    0.5021    0.3103   -176.88
                        N4      -0.2974   -0.1487    0.5041    0.3325   -153.44
                        C5      -0.4399    0.0431    0.4990    0.4420    174.40
                        C6      -0.4449    0.1787    0.4971    0.4795    158.12
                        H14     -0.2065   -0.1903    0.5062    0.2808   -137.33
                        H24     -0.3789   -0.2066    0.5034    0.4316   -151.40
                        H5      -0.5231   -0.0124    0.4983    0.5232   -178.65
                        H6      -0.5338    0.2246    0.4949    0.5791    157.18


             PHOSPHATE  P        0.7527   -0.5988    0.3247    0.9618    -38.51
                        O1       0.6774   -0.6946    0.4087    0.9702    -45.72
                        O2       0.8833   -0.6460    0.2735    1.0943    -36.18
                        O3       0.6612   -0.5512    0.2024    0.8608    -39.82
                        O5       0.7727   -0.4616    0.4045    0.9001    -30.85


             SUGAR      C1       0.5547   -0.1847    0.5133    0.5846    -18.41
                        C2       0.6477   -0.2518    0.6138    0.6949    -21.24
                        C3       0.7830   -0.2143    0.5534    0.8118    -15.31
                        C4       0.7570   -0.2199    0.4029    0.7883    -16.20
                        C5       0.8092   -0.3430    0.3314    0.8789    -22.97
                        O4       0.6124   -0.2136    0.3870    0.6486    -19.23
                        H1       0.5524   -0.0773    0.5320    0.5578     -7.97
                        H12      0.6350   -0.3600    0.6101    0.7299    -29.55
                        H22      0.6373   -0.2049    0.7116    0.6694    -17.82
                        H3       0.8667   -0.2796    0.5783    0.9107    -17.88
                        H4       0.7977   -0.1305    0.3556    0.8083     -9.29
                        H15      0.9178   -0.3372    0.3235    0.9778    -20.17
                        H25      0.7667   -0.3476    0.2311    0.8418    -24.39


            GUANINE 10  N1       0.0602   -0.0621    0.5081    0.0865    -45.90
                        C2       0.1716    0.0194    0.5051    0.1727      6.47
                        N2       0.1480    0.1507    0.4999    0.2112     45.53
                        N3       0.2963   -0.0270    0.5070    0.2975     -5.22
                        C4       0.3005   -0.1628    0.5123    0.3418    -28.44
                        C5       0.1956   -0.2516    0.5156    0.3187    -52.14
                        C6       0.0626   -0.2022    0.5136    0.2117    -72.79
                        O6      -0.0429   -0.2650    0.5160    0.2684    -99.19
                        N7       0.2426   -0.3828    0.5208    0.4531    -57.64
                        C8       0.3730   -0.3693    0.5204    0.5248    -44.71
                        N9       0.4157   -0.2384    0.5153    0.4792    -29.83
                        H1      -0.0294   -0.0177    0.5063    0.0343   -148.95
                        H12      0.0539    0.1846    0.4985    0.1923     73.72
                        H22      0.2244    0.2152    0.4975    0.3109     43.80
                        H8       0.4358   -0.4470    0.5235    0.6243    -45.73


            --------------------------------------------------------------------
1




            --------------------------------------------------------------------
             Group      Atom      x(nm)     y(nm)     z(nm)     r(nm)   phi(deg)
            --------------------------------------------------------------------


             PHOSPHATE  P       -0.3456    0.8323    0.3896    0.9012    112.55
                        O1      -0.4411    0.8697    0.2829    0.9752    116.89
                        O2      -0.3718    0.8898    0.5234    0.9644    112.68
                        O3      -0.3369    0.6729    0.4004    0.7526    116.60
                        O5      -0.1967    0.8690    0.3437    0.8910    102.76


             SUGAR      C1       0.0294    0.5683    0.2313    0.5690     87.04
                        C2       0.0161    0.6823    0.1309    0.6825     88.65
                        C3       0.0487    0.8046    0.2166    0.8061     86.54
                        C4       0.0196    0.7613    0.3602    0.7616     88.53
                        C5      -0.0872    0.8408    0.4328    0.8453     95.92
                        O4      -0.0218    0.6219    0.3522    0.6223     92.00
                        H1       0.1344    0.5409    0.2415    0.5573     76.04
                        H12     -0.0873    0.6881    0.0970    0.6936     97.23
                        H22      0.0921    0.6708    0.0536    0.6771     82.18
                        H3      -0.0086    0.8944    0.1934    0.8945     90.55
                        H4       0.1119    0.7632    0.4182    0.7714     81.66
                        H15     -0.0447    0.9344    0.4689    0.9355     92.74
                        H25     -0.1236    0.7834    0.5181    0.7931     98.97


            CYTOSINE 2  N1      -0.0502    0.4475    0.1955    0.4503     96.40
                        C2       0.0123    0.3234    0.2051    0.3237     87.83
                        O2       0.1301    0.3187    0.2426    0.3442     67.80
                        N3      -0.0585    0.2121    0.1730    0.2200    105.43
                        C4      -0.1859    0.2215    0.1328    0.2892    130.01
                        N4      -0.2506    0.1100    0.1026    0.2737    156.30
                        C5      -0.2520    0.3482    0.1222    0.4298    125.90
                        C6      -0.1795    0.4582    0.1548    0.4921    111.39
                        H14     -0.2043    0.0217    0.1101    0.2055    173.93
                        H24     -0.3459    0.1141    0.0723    0.3642    161.74
                        H5      -0.3471    0.3552    0.0922    0.4967    134.34
                        H6      -0.2219    0.5486    0.1488    0.5917    112.02


             PHOSPHATE  P        0.2154   -0.8589    0.0149    0.8855    -75.92
                        O1       0.1876   -0.9662    0.1130    0.9843    -79.01
                        O2       0.2301   -0.9018   -0.1260    0.9307    -75.69
                        O3       0.1023   -0.7462    0.0252    0.7532    -82.20
                        O5       0.3454   -0.7773    0.0600    0.8506    -66.04


             SUGAR      C1       0.3932   -0.4373    0.1747    0.5881    -48.04
                        C2       0.4256   -0.5630    0.2546    0.7058    -52.91
                        C3       0.5413   -0.6223    0.1742    0.8248    -48.98
                        C4       0.4980   -0.5915    0.0310    0.7732    -49.90
                        C5       0.4162   -0.6990   -0.0379    0.8135    -59.23
                        O4       0.4197   -0.4688    0.0389    0.6293    -48.16
                        H1       0.4573   -0.3556    0.2079    0.5793    -37.87
                        H12      0.3403   -0.6308    0.2511    0.7168    -61.65
                        H22      0.4610   -0.5345    0.3537    0.7058    -49.22
                        H3       0.5592   -0.7293    0.1845    0.9191    -52.52
                        H4       0.5858   -0.5683   -0.0294    0.8162    -44.14
                        H15      0.4824   -0.7638   -0.0954    0.9033    -57.73
                        H25      0.3447   -0.6524   -0.1057    0.7379    -62.15


             GUANINE 9  N1       0.0745   -0.0398    0.1781    0.0845    -28.08
                        C2       0.2121   -0.0427    0.1668    0.2164    -11.39
                        N2       0.2726    0.0757    0.1549    0.2829     15.52
                        N3       0.2831   -0.1553    0.1674    0.3229    -28.75
                        C4       0.2046   -0.2655    0.1804    0.3352    -52.38
                        C5       0.0678   -0.2723    0.1921    0.2806    -76.02
                        C6      -0.0080   -0.1523    0.1915    0.1525    -93.00
                        O6      -0.1296   -0.1381    0.2008    0.1894   -133.19
                        N7       0.0260   -0.4048    0.2033    0.4056    -86.32
                        C8       0.1377   -0.4733    0.1980    0.4929    -73.78
                        N9       0.2505   -0.3954    0.1841    0.4681    -57.65
                        H1       0.0302    0.0499    0.1765    0.0583     58.80
                        H12      0.2183    0.1597    0.1545    0.2705     36.19
                        H22      0.3721    0.0804    0.1463    0.3807     12.20
                        H8       0.1407   -0.5731    0.2036    0.5901    -76.21


            --------------------------------------------------------------------
1




            --------------------------------------------------------------------
             Group      Atom      x(nm)     y(nm)     z(nm)     r(nm)   phi(deg)
            --------------------------------------------------------------------


             PHOSPHATE  P        0.2385    0.9186    0.0793    0.9490     75.45
                        O1       0.1229    0.9828    0.0128    0.9905     82.87
                        O2       0.3472    1.0092    0.1226    1.0673     71.02
                        O3       0.1875    0.8324    0.2041    0.8533     77.30
                        O5       0.2984    0.8045   -0.0156    0.8580     69.65


             SUGAR      C1       0.2762    0.4761   -0.1961    0.5504     59.88
                        C2       0.2987    0.6089   -0.2677    0.6782     63.87
                        C3       0.4336    0.6470   -0.2068    0.7789     56.17
                        C4       0.4202    0.6003   -0.0618    0.7328     55.01
                        C5       0.3904    0.7087    0.0400    0.8091     61.15
                        O4       0.3119    0.5029   -0.0614    0.5918     58.19
                        H1       0.3407    0.3999   -0.2398    0.5253     49.57
                        H12      0.2233    0.6815   -0.2374    0.7172     71.86
                        H22      0.3105    0.5926   -0.3748    0.6690     62.35
                        H3       0.4594    0.7529   -0.2086    0.8820     58.61
                        H4       0.5104    0.5467   -0.0325    0.7479     46.96
                        H15      0.4831    0.7591    0.0676    0.8998     57.53
                        H25      0.3467    0.6638    0.1291    0.7489     62.42


            CYTOSINE 3  N1       0.1347    0.4295   -0.1995    0.4501     72.59
                        C2       0.1112    0.2927   -0.1882    0.3132     69.20
                        O2       0.2077    0.2164   -0.1759    0.2999     46.17
                        N3      -0.0171    0.2482   -0.1911    0.2488     93.93
                        C4      -0.1189    0.3341   -0.2046    0.3546    109.58
                        N4      -0.2421    0.2857   -0.2068    0.3745    130.27
                        C5      -0.0968    0.4752   -0.2164    0.4850    101.51
                        C6       0.0321    0.5177   -0.2133    0.5186     86.45
                        H14     -0.2573    0.1872   -0.1986    0.3182    143.95
                        H24     -0.3200    0.3477   -0.2168    0.4725    132.62
                        H5      -0.1728    0.5394   -0.2265    0.5664    107.76
                        H6       0.0519    0.6154   -0.2212    0.6175     85.18


             PHOSPHATE  P       -0.3200   -0.8808   -0.3402    0.9372   -109.96
                        O1      -0.4487   -0.8577   -0.2709    0.9680   -117.61
                        O2      -0.3021   -1.0145   -0.4011    1.0585   -106.58
                        O3      -0.2977   -0.7678   -0.4512    0.8235   -111.20
                        O5      -0.1989   -0.8510   -0.2399    0.8739   -103.16


             SUGAR      C1      -0.0459   -0.5371   -0.0995    0.5391    -94.88
                        C2      -0.1131   -0.6468   -0.0176    0.6566    -99.92
                        C3      -0.0179   -0.7622   -0.0491    0.7624    -91.34
                        C4       0.0124   -0.7405   -0.1974    0.7406    -89.04
                        C5      -0.0681   -0.8249   -0.2942    0.8277    -94.72
                        O4      -0.0139   -0.5995   -0.2229    0.5997    -91.33
                        H1       0.0440   -0.5032   -0.0480    0.5052    -85.00
                        H12     -0.2119   -0.6692   -0.0578    0.7019   -107.57
                        H22     -0.1079   -0.6234    0.0887    0.6327    -99.82
                        H3      -0.0566   -0.8630   -0.0343    0.8649    -93.76
                        H4       0.1188   -0.7559   -0.2154    0.7652    -81.07
                        H15     -0.0165   -0.9193   -0.3117    0.9194    -91.03
                        H25     -0.0780   -0.7720   -0.3890    0.7759    -95.77


             GUANINE 8  N1      -0.0616   -0.0319   -0.1637    0.0694   -152.62
                        C2       0.0459   -0.1145   -0.1374    0.1233    -68.14
                        N2       0.1647   -0.0544   -0.1269    0.1735    -18.28
                        N3       0.0351   -0.2463   -0.1229    0.2488    -81.90
                        C4      -0.0931   -0.2892   -0.1370    0.3038   -107.85
                        C5      -0.2059   -0.2149   -0.1630    0.2976   -133.77
                        C6      -0.1944   -0.0744   -0.1785    0.2082   -159.07
                        O6      -0.2826    0.0079   -0.2018    0.2827    178.39
                        N7      -0.3183   -0.2971   -0.1698    0.4354   -136.97
                        C8      -0.2704   -0.4172   -0.1479    0.4972   -122.95
                        N9      -0.1343   -0.4204   -0.1271    0.4413   -107.71
                        H1      -0.0433    0.0660   -0.1730    0.0789    123.30
                        H12      0.1718    0.0447   -0.1380    0.1775     14.59
                        H22      0.2466   -0.1086   -0.1080    0.2694    -23.76
                        H8      -0.3277   -0.4992   -0.1465    0.5972   -123.28


            --------------------------------------------------------------------
1




            --------------------------------------------------------------------
             Group      Atom      x(nm)     y(nm)     z(nm)     r(nm)   phi(deg)
            --------------------------------------------------------------------


             PHOSPHATE  P        0.6214    0.6402   -0.3872    0.8922     45.85
                        O1       0.5299    0.6899   -0.4923    0.8699     52.47
                        O2       0.7144    0.7399   -0.3296    1.0285     46.01
                        O3       0.5365    0.5720   -0.2700    0.7843     46.83
                        O5       0.7044    0.5153   -0.4429    0.8728     36.19


             SUGAR      C1       0.5190    0.1901   -0.4472    0.5528     20.11
                        C2       0.6159    0.1910   -0.5650    0.6448     17.23
                        C3       0.7501    0.2159   -0.4962    0.7805     16.06
                        C4       0.7150    0.2862   -0.3651    0.7702     21.81
                        C5       0.7690    0.4270   -0.3492    0.8796     29.04
                        O4       0.5695    0.2896   -0.3595    0.6389     26.95
                        H1       0.5200    0.0918   -0.4001    0.5280     10.01
                        H12      0.5921    0.2752   -0.6301    0.6530     24.92
                        H22      0.6165    0.0923   -0.6114    0.6234      8.52
                        H3       0.8207    0.2769   -0.5524    0.8662     18.64
                        H4       0.7479    0.2250   -0.2811    0.7811     16.74
                        H15      0.8765    0.4270   -0.3674    0.9750     25.98
                        H25      0.7503    0.4619   -0.2477    0.8811     31.61


            CYTOSINE 4  N1       0.3793    0.2260   -0.4843    0.4415     30.79
                        C2       0.2830    0.1256   -0.4796    0.3096     23.92
                        O2       0.3172    0.0118   -0.4452    0.3174      2.12
                        N3       0.1550    0.1563   -0.5131    0.2201     45.22
                        C4       0.1221    0.2807   -0.5498    0.3062     66.49
                        N4      -0.0040    0.3056   -0.5815    0.3056     90.75
                        C5       0.2197    0.3856   -0.5553    0.4437     60.33
                        C6       0.3469    0.3528   -0.5215    0.4948     45.48
                        H14     -0.0719    0.2323   -0.5776    0.2432    107.20
                        H24     -0.0314    0.3977   -0.6092    0.3989     94.51
                        H5       0.1951    0.4785   -0.5827    0.5168     67.82
                        H6       0.4181    0.4230   -0.5239    0.5948     45.33


             PHOSPHATE  P       -0.7669   -0.5961   -0.7361    0.9714   -142.14
                        O1      -0.8607   -0.5190   -0.6514    1.0051   -148.91
                        O2      -0.8112   -0.7319   -0.7750    1.0926   -137.94
                        O3      -0.7312   -0.5117   -0.8673    0.8925   -145.02
                        O5      -0.6243   -0.6047   -0.6642    0.8691   -135.91


             SUGAR      C1      -0.3057   -0.4868   -0.5211    0.5748   -122.13
                        C2      -0.4107   -0.5560   -0.4348    0.6912   -126.45
                        C3      -0.4101   -0.6948   -0.4988    0.8068   -120.55
                        C4      -0.3901   -0.6645   -0.6472    0.7705   -120.42
                        C5      -0.5152   -0.6688   -0.7329    0.8443   -127.61
                        O4      -0.3329   -0.5306   -0.6532    0.6264   -122.11
                        H1      -0.2062   -0.5180   -0.4892    0.5575   -111.71
                        H12     -0.5081   -0.5094   -0.4500    0.7194   -134.93
                        H22     -0.3757   -0.5632   -0.3319    0.6770   -123.70
                        H3      -0.5004   -0.7545   -0.4857    0.9054   -123.55
                        H4      -0.3154   -0.7323   -0.6885    0.7973   -113.30
                        H15     -0.5413   -0.7726   -0.7538    0.9434   -125.02
                        H25     -0.4964   -0.6175   -0.8272    0.7923   -128.80


             GUANINE 7  N1      -0.0379   -0.0534   -0.5146    0.0655   -125.40
                        C2       0.0058   -0.1843   -0.5173    0.1844    -88.20
                        N2       0.1381   -0.2019   -0.5185    0.2447    -55.63
                        N3      -0.0766   -0.2889   -0.5188    0.2989   -104.84
                        C4      -0.2072   -0.2515   -0.5173    0.3258   -129.49
                        C5      -0.2598   -0.1245   -0.5146    0.2881   -154.41
                        C6      -0.1721   -0.0129   -0.5130    0.1726   -175.71
                        O6      -0.1998    0.1067   -0.5106    0.2265    151.90
                        N7      -0.3992   -0.1291   -0.5138    0.4195   -162.07
                        C8      -0.4261   -0.2574   -0.5161    0.4978   -148.86
                        N9      -0.3144   -0.3381   -0.5182    0.4616   -132.92
                        H1       0.0317    0.0184   -0.5137    0.0367     30.06
                        H12      0.1991   -0.1227   -0.5174    0.2339    -31.64
                        H22      0.1763   -0.2944   -0.5204    0.3431    -59.09
                        H8      -0.5193   -0.2935   -0.5161    0.5965   -150.53


            --------------------------------------------------------------------
1




            --------------------------------------------------------------------
             Group      Atom      x(nm)     y(nm)     z(nm)     r(nm)   phi(deg)
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             PHOSPHATE  P        0.9156    0.0283   -0.5688    0.9161      1.77
                        O1       0.9514    0.1298   -0.6705    0.9602      7.77
                        O2       1.0285   -0.0307   -0.4935    1.0289     -1.71
                        O3       0.8092    0.0900   -0.4666    0.8142      6.35
                        O5       0.8299   -0.0882   -0.6372    0.8346     -6.07


             SUGAR      C1       0.5406   -0.2479   -0.7896    0.5947    -24.63
                        C2       0.6689   -0.2444   -0.8720    0.7121    -20.07
                        C3       0.7617   -0.3306   -0.7864    0.8303    -23.46
                        C4       0.7158   -0.3018   -0.6435    0.7768    -22.86
                        C5       0.8048   -0.2091   -0.5630    0.8316    -14.56
                        O4       0.5838   -0.2412   -0.6546    0.6317    -22.44
                        H1       0.4875   -0.3410   -0.8090    0.5949    -34.98
                        H12      0.7071   -0.1423   -0.8755    0.7212    -11.38
                        H22      0.6518   -0.2933   -0.9678    0.7148    -24.23
                        H3       0.8683   -0.3097   -0.7953    0.9219    -19.63
                        H4       0.7031   -0.3957   -0.5897    0.8068    -29.37
                        H15      0.8994   -0.2590   -0.5417    0.9359    -16.06
                        H25      0.7559   -0.1844   -0.4688    0.7781    -13.71


            CYTOSINE 5  N1       0.4498   -0.1326   -0.8153    0.4689    -16.42
                        C2       0.3127   -0.1567   -0.8152    0.3498    -26.62
                        O2       0.2723   -0.2717   -0.7940    0.3847    -44.94
                        N3       0.2282   -0.0530   -0.8385    0.2342    -13.08
                        C4       0.2758    0.0701   -0.8610    0.2846     14.25
                        N4       0.1893    0.1678   -0.8832    0.2530     41.56
                        C5       0.4165    0.0970   -0.8615    0.4277     13.11
                        C6       0.4993   -0.0080   -0.8381    0.4993     -0.92
                        H14      0.0912    0.1488   -0.8828    0.1745     58.51
                        H24      0.2222    0.2607   -0.9003    0.3426     49.56
                        H5       0.4522    0.1889   -0.8784    0.4900     22.68
                        H6       0.5982    0.0065   -0.8376    0.5982      0.62


             PHOSPHATE  P       -0.8558    0.0489   -0.9464    0.8572    176.73
                        O1      -0.7851    0.1417   -0.8553    0.7978    169.77
                        O2      -1.0033    0.0460   -0.9344    1.0044    177.38
                        O3      -0.8148    0.0806   -1.0976    0.8188    174.35
                        O5      -0.7975   -0.0990   -0.9281    0.8037   -172.92


             SUGAR      C1      -0.5237   -0.2955   -0.8798    0.6013   -150.57
                        C2      -0.6411   -0.3043   -0.7829    0.7097   -154.61
                        C3      -0.7508   -0.3709   -0.8660    0.8374   -153.71
                        C4      -0.7222   -0.3157   -1.0057    0.7882   -156.39
                        C5      -0.7941   -0.1872   -1.0419    0.8158   -166.74
                        O4      -0.5783   -0.2942   -1.0108    0.6488   -153.04
                        H1      -0.4594   -0.3826   -0.8670    0.5979   -140.21
                        H12     -0.6719   -0.2031   -0.7564    0.7020   -163.18
                        H22     -0.6132   -0.3699   -0.7004    0.7161   -148.90
                        H3      -0.8539   -0.3487   -0.8386    0.9224   -157.79
                        H4      -0.7446   -0.3921   -1.0802    0.8415   -152.23
                        H15     -0.8959   -0.2101   -1.0733    0.9202   -166.80
                        H25     -0.7419   -0.1383   -1.1242    0.7547   -169.44


             GUANINE 6  N1      -0.0514   -0.1069   -0.8492    0.1186   -115.69
                        C2      -0.0937   -0.2375   -0.8644    0.2553   -111.54
                        N2       0.0025   -0.3297   -0.8724    0.3297    -89.57
                        N3      -0.2220   -0.2725   -0.8709    0.3514   -129.17
                        C4      -0.3051   -0.1654   -0.8610    0.3470   -151.54
                        C5      -0.2723   -0.0327   -0.8458    0.2743   -173.15
                        C6      -0.1356    0.0047   -0.8389    0.1357    178.00
                        O6      -0.0871    0.1168   -0.8257    0.1457    126.72
                        N7      -0.3873    0.0458   -0.8397    0.3900    173.25
                        C8      -0.4849   -0.0409   -0.8512    0.4867   -175.18
                        N9      -0.4427   -0.1714   -0.8646    0.4747   -158.84
                        H1       0.0472   -0.0906   -0.8454    0.1022    -62.50
                        H12      0.0985   -0.3023   -0.8673    0.3180    -71.95
                        H22     -0.0215   -0.4261   -0.8834    0.4267    -92.89
                        H8      -0.5815   -0.0147   -0.8504    0.5816   -178.55


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