REMARK  Name = BDB045403
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.116  -1.391   0.065  0.00  0.00    +0.140 C 
ATOM      2  C   LIG    1       -2.097  -0.435   0.805  0.00  0.00    +0.050 C 
ATOM      3  C   LIG    1       -3.172  -1.231   1.562  0.00  0.00    +0.026 C 
ATOM      4  C   LIG    1       -2.544  -2.185   2.579  0.00  0.00    +0.081 C 
ATOM      5  N   LIG    1       -1.287  -2.784   2.141  0.00  0.00    -0.313 NA
ATOM      6  H   LIG    1       -1.183  -3.720   2.530  0.00  0.00    +0.122 HD
ATOM      7  C   LIG    1       -1.144  -2.811   0.685  0.00  0.00    +0.113 C 
ENDROOT
BRANCH   2   8
ATOM      8  C   LIG    1       -2.764   0.582  -0.117  0.00  0.00    -0.042 A 
ATOM      9  C   LIG    1       -3.506   0.186  -1.242  0.00  0.00    +0.005 A 
ATOM     10  C   LIG    1       -4.113   1.138  -2.066  0.00  0.00    +0.020 A 
ATOM     11  C   LIG    1       -3.990   2.492  -1.769  0.00  0.00    +0.041 A 
ATOM     12 CL   LIG    1       -4.737   3.663  -2.785  0.00  0.00    -0.084 Cl
ATOM     13  C   LIG    1       -3.269   2.904  -0.651  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1       -2.663   1.953   0.173  0.00  0.00    +0.005 A 
ENDBRANCH   2   8
BRANCH   1  15
ATOM     15  O   LIG    1        0.242  -0.921   0.126  0.00  0.00    -0.370 OA
BRANCH  15  16
ATOM     16  C   LIG    1        0.495   0.241  -0.662  0.00  0.00    +0.195 C 
BRANCH  16  20
ATOM     17  C   LIG    1        4.746   0.842  -1.242  0.00  0.00    +0.120 A 
ATOM     18  C   LIG    1        4.280   0.236  -0.076  0.00  0.00    +0.046 A 
ATOM     19  C   LIG    1        2.907   0.032   0.111  0.00  0.00    +0.009 A 
ATOM     20  C   LIG    1        1.981   0.418  -0.868  0.00  0.00    -0.022 A 
ATOM     21  C   LIG    1        2.457   1.039  -2.030  0.00  0.00    +0.009 A 
ATOM     22  C   LIG    1        3.827   1.243  -2.214  0.00  0.00    +0.046 A 
BRANCH  17  24
ATOM     23  C   LIG    1        7.027   0.693  -0.595  0.00  0.00    +0.277 C 
ATOM     24  O   LIG    1        6.054   1.100  -1.548  0.00  0.00    -0.495 OA
ENDBRANCH  17  24
ENDBRANCH  16  20
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 5