REMARK  Name = BDB045669
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.747  -1.076  -1.176  0.00  0.00    +0.220 A 
ATOM      2  N   LIG    1        0.837  -0.675  -0.272  0.00  0.00    -0.199 NA
ATOM      3  C   LIG    1       -0.476  -0.846  -0.524  0.00  0.00    +0.129 A 
ATOM      4  C   LIG    1       -0.902  -1.450  -1.681  0.00  0.00    +0.063 A 
ATOM      5  C   LIG    1        0.078  -1.835  -2.558  0.00  0.00    +0.118 A 
ATOM      6  N   LIG    1        1.388  -1.651  -2.333  0.00  0.00    -0.223 NA
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1        3.977  -1.731  -1.701  0.00  0.00    +0.132 C 
ATOM      8  N   LIG    1        3.108  -0.853  -0.922  0.00  0.00    -0.298 N 
BRANCH   8   9
ATOM      9  C   LIG    1        3.424  -0.703   0.502  0.00  0.00    +0.144 C 
BRANCH   9  10
ATOM     10  C   LIG    1        4.764  -0.019   0.696  0.00  0.00    -0.010 A 
ATOM     11  C   LIG    1        5.839  -0.629   1.362  0.00  0.00    +0.073 A 
ATOM     12 CL   LIG    1        5.805  -2.212   2.017  0.00  0.00    -0.081 Cl
ATOM     13  C   LIG    1        7.061   0.051   1.527  0.00  0.00    +0.107 A 
ATOM     14  C   LIG    1        7.172   1.343   1.015  0.00  0.00    +0.067 A 
ATOM     15  N   LIG    1        8.451   1.730   1.326  0.00  0.00    -0.344 N 
ATOM     16  H   LIG    1        8.873   2.620   1.102  0.00  0.00    +0.167 HD
ATOM     17  C   LIG    1        9.054   0.703   1.991  0.00  0.00    +0.197 A 
ATOM     18  C   LIG    1        6.135   1.996   0.347  0.00  0.00    +0.028 A 
ATOM     19  N   LIG    1        8.248  -0.323   2.129  0.00  0.00    -0.234 NA
ATOM     20  C   LIG    1        4.934   1.289   0.201  0.00  0.00    +0.009 A 
ENDBRANCH   9  10
ENDBRANCH   8   9
ENDBRANCH   1   8
BRANCH   3  21
ATOM     21  N   LIG    1       -1.327  -0.391   0.481  0.00  0.00    -0.283 N 
ATOM     22  H   LIG    1       -0.765  -0.125   1.282  0.00  0.00    +0.155 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -2.645  -0.154   0.602  0.00  0.00    +0.146 A 
ATOM     24  N   LIG    1       -3.204   0.101   1.787  0.00  0.00    -0.158 NA
ATOM     25  N   LIG    1       -4.500   0.295   1.523  0.00  0.00    -0.280 N 
ATOM     26  H   LIG    1       -5.119   0.489   2.304  0.00  0.00    +0.189 HD
ATOM     27  C   LIG    1       -4.807   0.221   0.192  0.00  0.00    +0.041 A 
ATOM     28  C   LIG    1       -3.608  -0.064  -0.430  0.00  0.00    +0.068 A 
BRANCH  27  29
ATOM     29  C   LIG    1       -6.171   0.435  -0.366  0.00  0.00    +0.045 C 
ATOM     30  C   LIG    1       -7.211  -0.560   0.149  0.00  0.00    +0.084 C 
ATOM     31  C   LIG    1       -8.489   0.208  -0.068  0.00  0.00    +0.134 C 
ATOM     32  O   LIG    1       -9.604  -0.293   0.004  0.00  0.00    -0.297 OA
ATOM     33  C   LIG    1       -8.242   1.661  -0.379  0.00  0.00    +0.075 C 
ATOM     34  C   LIG    1       -6.764   1.806  -0.037  0.00  0.00    +0.017 C 
ENDBRANCH  27  29
ENDBRANCH  21  23
ENDBRANCH   3  21
TORSDOF 6