REMARK  Name = BDB004108
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.501  -0.233  -0.201  0.00  0.00    +0.129 A 
ATOM      2  C   LIG    1        2.289   0.258   0.343  0.00  0.00    +0.040 A 
ATOM      3  C   LIG    1        2.314   1.254   1.418  0.00  0.00    +0.019 A 
ATOM      4  C   LIG    1        1.182   1.706   1.957  0.00  0.00    +0.071 A 
ATOM      5  C   LIG    1       -0.137   1.235   1.497  0.00  0.00    +0.252 A 
ATOM      6  N   LIG    1       -0.170   0.325   0.438  0.00  0.00    -0.296 N 
ATOM      7  O   LIG    1       -1.141   1.663   2.066  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1        1.040  -0.201  -0.138  0.00  0.00    +0.056 A 
ATOM      9  C   LIG    1        1.041  -1.164  -1.157  0.00  0.00    +0.027 A 
ATOM     10  C   LIG    1        2.237  -1.649  -1.691  0.00  0.00    +0.006 A 
ATOM     11  C   LIG    1        3.461  -1.187  -1.218  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   6  12
ATOM     12  C   LIG    1       -1.516  -0.081  -0.019  0.00  0.00    +0.177 C 
ATOM     13  C   LIG    1       -2.254   1.160  -0.591  0.00  0.00    +0.242 C 
ATOM     14  O   LIG    1       -1.678   2.199  -0.923  0.00  0.00    -0.273 OA
ATOM     15  N   LIG    1       -3.566   1.009  -0.966  0.00  0.00    -0.255 N 
ATOM     16  H   LIG    1       -3.786   1.805  -1.559  0.00  0.00    +0.158 HD
ATOM     17  C   LIG    1       -4.570   0.998  -0.041  0.00  0.00    +0.219 C 
ATOM     18  O   LIG    1       -5.489   1.812  -0.137  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1       -4.517   0.008   1.092  0.00  0.00    +0.096 C 
ATOM     20  C   LIG    1       -3.682  -1.229   0.803  0.00  0.00    +0.012 C 
ATOM     21  C   LIG    1       -2.204  -0.956   1.040  0.00  0.00    +0.035 C 
ENDBRANCH   6  12
BRANCH   1  23
ATOM     22  C   LIG    1        5.894  -0.154  -0.241  0.00  0.00    +0.277 C 
ATOM     23  O   LIG    1        4.663   0.272   0.330  0.00  0.00    -0.494 OA
ENDBRANCH   1  23
TORSDOF 2