REMARK  Name = BDB006634
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.993   0.542  -0.856  0.00  0.00    +0.069 A 
ATOM      2  C   LIG    1       -1.638   0.533  -0.502  0.00  0.00    +0.031 A 
ATOM      3  C   LIG    1       -0.301   0.032  -0.879  0.00  0.00    +0.146 C 
ATOM      4  N   LIG    1        0.556   0.654   0.192  0.00  0.00    -0.253 N 
ATOM      5  C   LIG    1       -0.231   1.418   1.106  0.00  0.00    +0.270 C 
ATOM      6  O   LIG    1        0.098   2.044   2.099  0.00  0.00    -0.268 OA
ATOM      7  C   LIG    1       -1.553   1.310   0.610  0.00  0.00    +0.129 A 
ATOM      8  N   LIG    1       -2.788   1.754   0.904  0.00  0.00    -0.256 N 
ATOM      9  N   LIG    1       -3.703   1.293   0.013  0.00  0.00    -0.175 NA
ENDROOT
BRANCH   4  10
ATOM     10  C   LIG    1        1.947   0.526   0.234  0.00  0.00    +0.054 A 
ATOM     11  C   LIG    1        2.708   1.027   1.226  0.00  0.00    +0.112 A 
ATOM     12  N   LIG    1        4.088   0.889   1.263  0.00  0.00    -0.316 N 
ATOM     13  C   LIG    1        4.806   1.465   2.390  0.00  0.00    +0.152 C 
ATOM     14  C   LIG    1        4.800   0.214   0.278  0.00  0.00    +0.254 A 
ATOM     15  O   LIG    1        6.019   0.064   0.281  0.00  0.00    -0.267 OA
ATOM     16  C   LIG    1        3.981  -0.343  -0.841  0.00  0.00    +0.016 A 
ATOM     17  C   LIG    1        4.724  -1.064  -1.921  0.00  0.00    +0.049 C 
ATOM     18  C   LIG    1        2.647  -0.176  -0.834  0.00  0.00    +0.033 A 
ENDBRANCH   4  10
BRANCH   3  19
ATOM     19  C   LIG    1       -0.396  -1.482  -0.838  0.00  0.00    -0.022 A 
ATOM     20  C   LIG    1       -0.497  -2.196  -2.046  0.00  0.00    +0.007 A 
ATOM     21  C   LIG    1       -0.588  -3.591  -2.049  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1       -0.579  -4.287  -0.843  0.00  0.00    +0.041 A 
ATOM     23 CL   LIG    1       -0.690  -6.003  -0.848  0.00  0.00    -0.084 Cl
ATOM     24  C   LIG    1       -0.482  -3.602   0.364  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1       -0.392  -2.207   0.368  0.00  0.00    +0.007 A 
ENDBRANCH   3  19
BRANCH   1  27
ATOM     26  C   LIG    1       -3.361   0.513  -3.331  0.00  0.00    +0.010 C 
ATOM     27  C   LIG    1       -3.675  -0.138  -1.993  0.00  0.00    +0.054 C 
ENDBRANCH   1  27
BRANCH   8  28
ATOM     28  C   LIG    1       -3.182   2.619   1.991  0.00  0.00    +0.172 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -3.471   1.839   3.263  0.00  0.00    +0.179 C 
BRANCH  29  30
ATOM     30  O   LIG    1       -3.699   2.725   4.357  0.00  0.00    -0.393 OA
ATOM     31  H   LIG    1       -2.842   3.118   4.600  0.00  0.00    +0.209 HD
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH   8  28
TORSDOF 6