REMARK  Name = BDB040545
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.107   1.426  -0.740  0.00  0.00    -0.028 A 
ATOM      2  C   LIG    1       -1.693   0.928  -1.905  0.00  0.00    +0.025 A 
ATOM      3  C   LIG    1       -3.022   0.481  -1.907  0.00  0.00    +0.047 A 
ATOM      4 CL   LIG    1       -3.606  -0.145  -3.413  0.00  0.00    -0.083 Cl
ATOM      5  C   LIG    1       -3.817   0.520  -0.741  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -3.198   0.998   0.435  0.00  0.00    +0.047 A 
ATOM      7 CL   LIG    1       -4.004   1.050   1.968  0.00  0.00    -0.083 Cl
ATOM      8  C   LIG    1       -1.869   1.442   0.431  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1       -5.268   0.043  -0.770  0.00  0.00    +0.108 C 
ATOM     10  C   LIG    1       -6.257   1.064  -0.213  0.00  0.00    +0.227 C 
ATOM     11  O   LIG    1       -6.151   2.275  -0.400  0.00  0.00    -0.275 OA
ATOM     12  N   LIG    1       -7.351   0.558   0.448  0.00  0.00    -0.256 N 
ATOM     13  H   LIG    1       -8.006   1.244   0.797  0.00  0.00    +0.157 HD
ATOM     14  C   LIG    1       -7.786  -0.742   0.472  0.00  0.00    +0.219 C 
ATOM     15  O   LIG    1       -8.892  -1.033   0.919  0.00  0.00    -0.275 OA
ATOM     16  C   LIG    1       -6.880  -1.768  -0.163  0.00  0.00    +0.097 C 
ATOM     17  C   LIG    1       -5.425  -1.330  -0.107  0.00  0.00    +0.027 C 
ENDBRANCH   5   9
BRANCH   1  18
ATOM     18  C   LIG    1        0.327   1.881  -0.725  0.00  0.00    +0.139 C 
BRANCH  18  20
ATOM     19  C   LIG    1        1.675   0.638   0.939  0.00  0.00    +0.228 C 
ATOM     20  N   LIG    1        1.196   0.792  -0.347  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1        1.483   0.137  -1.065  0.00  0.00    +0.149 HD
ATOM     22  O   LIG    1        1.381   1.436   1.830  0.00  0.00    -0.275 OA
BRANCH  19  24
ATOM     23  C   LIG    1        1.654  -1.877   0.989  0.00  0.00    +0.030 C 
ATOM     24  C   LIG    1        2.521  -0.624   1.199  0.00  0.00    +0.117 C 
ATOM     25  C   LIG    1        3.022  -0.620   2.655  0.00  0.00    +0.030 C 
BRANCH  24  26
ATOM     26  C   LIG    1        3.690  -0.611   0.256  0.00  0.00    +0.210 A 
ATOM     27  O   LIG    1        3.429  -0.894  -1.067  0.00  0.00    -0.447 OA
ATOM     28  C   LIG    1        4.649  -0.824  -1.671  0.00  0.00    +0.220 A 
ATOM     29  C   LIG    1        5.571  -0.509  -0.708  0.00  0.00    +0.083 A 
ATOM     30  N   LIG    1        4.965  -0.383   0.510  0.00  0.00    -0.217 NA
BRANCH  29  31
ATOM     31  C   LIG    1        7.086  -0.332  -0.947  0.00  0.00    +0.041 C 
ATOM     32  C   LIG    1        7.579   0.919  -1.627  0.00  0.00    +0.010 C 
ATOM     33  C   LIG    1        7.829   0.718  -0.161  0.00  0.00    +0.010 C 
ENDBRANCH  29  31
ENDBRANCH  24  26
ENDBRANCH  19  24
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 6