REMARK  Name = BDB042398
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.945  -0.421  -0.061  0.00  0.00    +0.051 A 
ATOM      2  C   LIG    1       -0.040   0.537   0.284  0.00  0.00    +0.054 A 
ATOM      3  C   LIG    1       -1.173   0.141   1.006  0.00  0.00    +0.033 A 
ATOM      4  C   LIG    1       -1.381  -1.202   1.363  0.00  0.00    -0.016 A 
ATOM      5  C   LIG    1       -0.409  -2.143   0.987  0.00  0.00    +0.010 A 
ATOM      6  C   LIG    1        0.738  -1.760   0.285  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1        5.370  -2.008  -2.378  0.00  0.00    +0.105 C 
ATOM      8  N   LIG    1        4.449  -0.876  -2.403  0.00  0.00    -0.302 NA
ATOM      9  C   LIG    1        3.066  -1.335  -2.666  0.00  0.00    +0.103 C 
ATOM     10  C   LIG    1        1.983  -0.319  -2.241  0.00  0.00    +0.120 C 
ATOM     11  N   LIG    1        2.072   0.021  -0.797  0.00  0.00    -0.326 N 
ATOM     12  C   LIG    1        3.371  -0.305  -0.166  0.00  0.00    +0.120 C 
ATOM     13  C   LIG    1        4.528  -0.070  -1.163  0.00  0.00    +0.103 C 
ENDBRANCH   1  11
BRANCH   4  14
ATOM     14  C   LIG    1       -2.586  -1.609   2.106  0.00  0.00    -0.016 A 
ATOM     15  C   LIG    1       -3.870  -1.258   1.648  0.00  0.00    +0.031 A 
ATOM     16  C   LIG    1       -5.025  -1.610   2.355  0.00  0.00    +0.025 A 
ATOM     17  C   LIG    1       -4.898  -2.415   3.488  0.00  0.00    +0.023 A 
ATOM     18  C   LIG    1       -3.638  -2.775   3.965  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1       -2.491  -2.367   3.283  0.00  0.00    +0.008 A 
BRANCH  16  20
ATOM     20  N   LIG    1       -6.291  -1.350   1.814  0.00  0.00    -0.358 N 
ATOM     21  H   LIG    1       -6.314  -0.536   1.208  0.00  0.00    +0.142 HD
ATOM     22  H   LIG    1       -7.035  -1.338   2.504  0.00  0.00    +0.142 HD
ENDBRANCH  16  20
ENDBRANCH   4  14
BRANCH   2  23
ATOM     23  N   LIG    1        0.221   1.893  -0.046  0.00  0.00    -0.296 N 
ATOM     24  H   LIG    1        1.048   1.898  -0.651  0.00  0.00    +0.154 HD
BRANCH  23  25
ATOM     25  C   LIG    1       -0.701   2.873  -0.503  0.00  0.00    +0.148 A 
ATOM     26  C   LIG    1       -0.194   4.155  -0.741  0.00  0.00    +0.102 A 
ATOM     27  C   LIG    1       -1.125   5.031  -1.284  0.00  0.00    +0.155 A 
ATOM     28 CL   LIG    1       -0.681   6.636  -1.735  0.00  0.00    -0.060 Cl
ATOM     29  N   LIG    1       -2.429   4.769  -1.482  0.00  0.00    -0.222 NA
ATOM     30  C   LIG    1       -2.801   3.533  -1.148  0.00  0.00    +0.225 A 
ATOM     31  N   LIG    1       -2.005   2.570  -0.668  0.00  0.00    -0.219 NA
BRANCH  26  32
ATOM     32  N   LIG    1        1.192   4.434  -0.645  0.00  0.00    -0.353 N 
ATOM     33  H   LIG    1        1.626   3.889   0.101  0.00  0.00    +0.143 HD
ATOM     34  H   LIG    1        1.383   5.430  -0.558  0.00  0.00    +0.143 HD
ENDBRANCH  26  32
ENDBRANCH  23  25
ENDBRANCH   2  23
TORSDOF 6