REMARK  Name = BDB040457
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.466   0.351  -2.197  0.00  0.00    +0.139 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.977   0.283  -1.774  0.00  0.00    -0.028 A 
ATOM      3  C   LIG    1       -1.616   1.389  -1.212  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1       -2.954   1.312  -0.795  0.00  0.00    +0.047 A 
ATOM      5 CL   LIG    1       -3.597   2.752  -0.076  0.00  0.00    -0.083 Cl
ATOM      6  C   LIG    1       -3.702   0.123  -0.934  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -3.028  -0.994  -1.474  0.00  0.00    +0.047 A 
ATOM      8 CL   LIG    1       -3.779  -2.547  -1.634  0.00  0.00    -0.083 Cl
ATOM      9  C   LIG    1       -1.692  -0.912  -1.886  0.00  0.00    +0.025 A 
BRANCH   6  10
ATOM     10  C   LIG    1       -5.165   0.017  -0.507  0.00  0.00    +0.108 C 
ATOM     11  C   LIG    1       -6.058   1.107  -1.096  0.00  0.00    +0.227 C 
ATOM     12  O   LIG    1       -5.917   1.554  -2.233  0.00  0.00    -0.275 OA
ATOM     13  N   LIG    1       -7.109   1.525  -0.314  0.00  0.00    -0.256 N 
ATOM     14  H   LIG    1       -7.701   2.236  -0.721  0.00  0.00    +0.157 HD
ATOM     15  C   LIG    1       -7.574   0.954   0.843  0.00  0.00    +0.219 C 
ATOM     16  O   LIG    1       -8.631   1.319   1.350  0.00  0.00    -0.275 OA
ATOM     17  C   LIG    1       -6.768  -0.193   1.399  0.00  0.00    +0.097 C 
ATOM     18  C   LIG    1       -5.301  -0.072   1.017  0.00  0.00    +0.027 C 
ENDBRANCH   6  10
ENDBRANCH   1   2
BRANCH   1  20
ATOM     19  C   LIG    1        1.836  -1.368  -1.063  0.00  0.00    +0.223 C 
ATOM     20  N   LIG    1        1.326  -0.087  -1.125  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1        1.574   0.577  -0.403  0.00  0.00    +0.149 HD
ATOM     22  O   LIG    1        1.609  -2.207  -1.932  0.00  0.00    -0.275 OA
BRANCH  19  24
ATOM     23  C   LIG    1        3.282  -3.086   0.101  0.00  0.00    +0.025 C 
ATOM     24  C   LIG    1        2.672  -1.672   0.208  0.00  0.00    +0.066 C 
ATOM     25  C   LIG    1        1.673  -1.689   1.388  0.00  0.00    +0.025 C 
BRANCH  24  26
ATOM     26  C   LIG    1        3.819  -0.654   0.364  0.00  0.00    -0.032 A 
ATOM     27  C   LIG    1        4.040   0.058   1.560  0.00  0.00    +0.014 A 
ATOM     28  C   LIG    1        5.095   0.990   1.653  0.00  0.00    -0.000 A 
ATOM     29  C   LIG    1        5.918   1.188   0.547  0.00  0.00    +0.046 A 
ATOM     30  N   LIG    1        6.855   2.132   0.902  0.00  0.00    -0.361 N 
ATOM     31  H   LIG    1        7.588   2.469   0.293  0.00  0.00    +0.165 HD
ATOM     32  C   LIG    1        6.650   2.540   2.193  0.00  0.00    +0.083 A 
ATOM     33  C   LIG    1        5.742   0.497  -0.652  0.00  0.00    +0.026 A 
ATOM     34  C   LIG    1        5.568   1.848   2.686  0.00  0.00    +0.027 A 
ATOM     35  C   LIG    1        4.687  -0.421  -0.720  0.00  0.00    +0.007 A 
ENDBRANCH  24  26
ENDBRANCH  19  24
ENDBRANCH   1  20
TORSDOF 5