REMARK  Name = BDB041003
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.775   0.035  -0.880  0.00  0.00    +0.172 C 
ATOM      2  C   LIG    1        0.239  -1.218  -0.157  0.00  0.00    +0.083 C 
ATOM      3  C   LIG    1       -1.244  -1.137  -0.080  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1       -2.220  -2.103   0.243  0.00  0.00    +0.066 A 
ATOM      5  N   LIG    1       -3.445  -1.571   0.247  0.00  0.00    -0.170 NA
ATOM      6  N   LIG    1       -3.288  -0.318  -0.265  0.00  0.00    -0.218 N 
ATOM      7  C   LIG    1       -2.022  -3.526   0.616  0.00  0.00    +0.068 C 
ATOM      8  C   LIG    1       -1.941   0.042  -0.266  0.00  0.00    +0.135 A 
ATOM      9  N   LIG    1       -1.339   1.313  -0.342  0.00  0.00    -0.254 N 
ATOM     10  C   LIG    1        0.072   1.328  -0.395  0.00  0.00    +0.242 C 
ATOM     11  O   LIG    1        0.742   2.333  -0.130  0.00  0.00    -0.273 OA
ENDROOT
BRANCH   2  12
ATOM     12  C   LIG    1        0.756  -1.428   1.264  0.00  0.00    -0.037 A 
ATOM     13  C   LIG    1        1.629  -2.509   1.503  0.00  0.00    +0.007 A 
ATOM     14  C   LIG    1        2.158  -2.737   2.775  0.00  0.00    +0.038 A 
ATOM     15  C   LIG    1        1.822  -1.886   3.817  0.00  0.00    +0.123 A 
ATOM     16  F   LIG    1        2.330  -2.103   5.037  0.00  0.00    -0.205 F 
ATOM     17  C   LIG    1        0.971  -0.809   3.612  0.00  0.00    +0.038 A 
ATOM     18  C   LIG    1        0.442  -0.577   2.340  0.00  0.00    +0.007 A 
ENDBRANCH   2  12
BRANCH   6  19
ATOM     19  C   LIG    1       -4.419   0.343  -0.817  0.00  0.00    +0.067 A 
ATOM     20  C   LIG    1       -4.276   1.265  -1.860  0.00  0.00    +0.028 A 
ATOM     21  C   LIG    1       -5.401   1.889  -2.402  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -6.673   1.582  -1.920  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -6.825   0.637  -0.906  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1       -5.703   0.009  -0.362  0.00  0.00    +0.028 A 
ENDBRANCH   6  19
BRANCH   1  26
ATOM     25  C   LIG    1        3.102  -0.669  -1.339  0.00  0.00    +0.237 C 
ATOM     26  N   LIG    1        2.224   0.209  -0.777  0.00  0.00    -0.300 N 
ATOM     27  H   LIG    1        2.547   1.100  -0.411  0.00  0.00    +0.150 HD
ATOM     28  O   LIG    1        2.763  -1.669  -1.960  0.00  0.00    -0.271 OA
BRANCH  25  30
ATOM     29  C   LIG    1        5.057   0.320  -0.141  0.00  0.00    -0.022 C 
ATOM     30  C   LIG    1        4.537  -0.319  -1.202  0.00  0.00    +0.063 C 
BRANCH  29  32
ATOM     31  C   LIG    1        7.480   0.283  -1.023  0.00  0.00    +0.008 C 
ATOM     32  C   LIG    1        6.504   0.671   0.080  0.00  0.00    +0.024 C 
ENDBRANCH  29  32
ENDBRANCH  25  30
ENDBRANCH   1  26
BRANCH   9  33
ATOM     33  C   LIG    1       -1.994   2.542   0.128  0.00  0.00    +0.112 C 
ATOM     34  C   LIG    1       -1.905   3.701  -0.858  0.00  0.00    +0.025 C 
ENDBRANCH   9  33
TORSDOF 6