REMARK  Name = BDB040401
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.322   2.529   0.466  0.00  0.00    +0.139 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.010   1.832   0.453  0.00  0.00    -0.028 A 
ATOM      3  C   LIG    1       -1.764   1.716   1.623  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1       -2.986   1.031   1.627  0.00  0.00    +0.047 A 
ATOM      5 CL   LIG    1       -3.834   1.005   3.138  0.00  0.00    -0.083 Cl
ATOM      6  C   LIG    1       -3.492   0.417   0.461  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -2.721   0.553  -0.715  0.00  0.00    +0.047 A 
ATOM      8 CL   LIG    1       -3.212  -0.097  -2.244  0.00  0.00    -0.083 Cl
ATOM      9  C   LIG    1       -1.500   1.242  -0.714  0.00  0.00    +0.025 A 
BRANCH   6  10
ATOM     10  C   LIG    1       -4.814  -0.348   0.492  0.00  0.00    +0.108 C 
ATOM     11  C   LIG    1       -4.704  -1.772  -0.047  0.00  0.00    +0.227 C 
ATOM     12  O   LIG    1       -3.719  -2.486   0.134  0.00  0.00    -0.275 OA
ATOM     13  N   LIG    1       -5.813  -2.270  -0.689  0.00  0.00    -0.256 N 
ATOM     14  H   LIG    1       -5.734  -3.218  -1.032  0.00  0.00    +0.157 HD
ATOM     15  C   LIG    1       -7.070  -1.724  -0.740  0.00  0.00    +0.219 C 
ATOM     16  O   LIG    1       -8.017  -2.355  -1.199  0.00  0.00    -0.275 OA
ATOM     17  C   LIG    1       -7.237  -0.357  -0.122  0.00  0.00    +0.097 C 
ATOM     18  C   LIG    1       -5.942   0.438  -0.186  0.00  0.00    +0.027 C 
ENDBRANCH   6  10
ENDBRANCH   1   2
BRANCH   1  20
ATOM     19  C   LIG    1        2.641   2.069   1.104  0.00  0.00    +0.223 C 
ATOM     20  N   LIG    1        1.369   1.606   0.831  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1        1.276   0.645   0.524  0.00  0.00    +0.149 HD
ATOM     22  O   LIG    1        2.901   3.269   1.156  0.00  0.00    -0.275 OA
BRANCH  19  24
ATOM     23  C   LIG    1        5.062   1.608   1.663  0.00  0.00    +0.025 C 
ATOM     24  C   LIG    1        3.700   0.958   1.338  0.00  0.00    +0.066 C 
ATOM     25  C   LIG    1        3.256   0.170   2.590  0.00  0.00    +0.025 C 
BRANCH  24  26
ATOM     26  C   LIG    1        3.864   0.098   0.069  0.00  0.00    -0.032 A 
ATOM     27  C   LIG    1        3.826  -1.308   0.091  0.00  0.00    +0.014 A 
ATOM     28  C   LIG    1        3.981  -2.066  -1.090  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1        4.184  -1.415  -2.312  0.00  0.00    +0.003 A 
ATOM     30  C   LIG    1        4.334  -2.208  -3.447  0.00  0.00    +0.143 A 
ATOM     31  N   LIG    1        4.290  -3.558  -3.420  0.00  0.00    -0.157 NA
ATOM     32  N   LIG    1        4.094  -4.191  -2.237  0.00  0.00    -0.157 NA
ATOM     33  C   LIG    1        4.233  -0.013  -2.346  0.00  0.00    +0.010 A 
ATOM     34  C   LIG    1        3.946  -3.459  -1.111  0.00  0.00    +0.143 A 
ATOM     35  C   LIG    1        4.077   0.728  -1.172  0.00  0.00    +0.005 A 
ENDBRANCH  24  26
ENDBRANCH  19  24
ENDBRANCH   1  20
TORSDOF 5