REMARK  Name = BDB048096
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.047  -2.052  -0.675  0.00  0.00    +0.174 C 
ATOM      2  C   LIG    1       -2.776  -2.852  -1.751  0.00  0.00    +0.052 C 
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -0.564  -2.425  -0.575  0.00  0.00    +0.085 C 
BRANCH   3   4
ATOM      4  C   LIG    1        0.234  -2.050  -1.819  0.00  0.00    +0.232 C 
BRANCH   4   5
ATOM      5  O   LIG    1        1.626  -2.299  -1.616  0.00  0.00    -0.492 OA
BRANCH   5  11
ATOM      6  C   LIG    1        6.167  -1.008  -0.619  0.00  0.00    +0.044 C 
ATOM      7  C   LIG    1        4.705  -0.656  -0.575  0.00  0.00    -0.044 A 
ATOM      8  C   LIG    1        4.245   0.572  -0.062  0.00  0.00    -0.044 A 
ATOM      9  C   LIG    1        2.865   0.833  -0.060  0.00  0.00    +0.007 A 
ATOM     10  C   LIG    1        1.951  -0.094  -0.570  0.00  0.00    +0.046 A 
ATOM     11  C   LIG    1        2.401  -1.301  -1.093  0.00  0.00    +0.121 A 
ATOM     12  C   LIG    1        3.771  -1.573  -1.088  0.00  0.00    +0.049 A 
BRANCH   8  13
ATOM     13  C   LIG    1        5.178   1.611   0.521  0.00  0.00    +0.046 C 
BRANCH  13  14
ATOM     14  C   LIG    1        5.344   1.435   2.029  0.00  0.00    +0.125 C 
BRANCH  14  15
ATOM     15  C   LIG    1        6.280   2.466   2.590  0.00  0.00    +0.305 C 
ATOM     16  O   LIG    1        6.854   3.355   1.986  0.00  0.00    -0.251 OA
BRANCH  15  17
ATOM     17  O   LIG    1        6.448   2.324   3.919  0.00  0.00    -0.481 OA
ATOM     18  H   LIG    1        7.069   3.042   4.163  0.00  0.00    +0.295 HD
ENDBRANCH  15  17
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH   8  13
ENDBRANCH   5  11
ENDBRANCH   4   5
ENDBRANCH   3   4
ENDBRANCH   1   3
BRANCH   1  19
ATOM     19  O   LIG    1       -2.671  -2.373   0.582  0.00  0.00    -0.485 OA
BRANCH  19  20
ATOM     20  C   LIG    1       -2.885  -1.272   1.370  0.00  0.00    +0.163 A 
ATOM     21  C   LIG    1       -3.861  -0.310   1.078  0.00  0.00    +0.171 A 
ATOM     22  C   LIG    1       -4.086   0.742   1.973  0.00  0.00    +0.070 A 
ATOM     23  C   LIG    1       -3.317   0.838   3.132  0.00  0.00    +0.045 A 
ATOM     24 CL   LIG    1       -3.581   2.141   4.225  0.00  0.00    -0.083 Cl
ATOM     25  C   LIG    1       -2.346  -0.119   3.423  0.00  0.00    +0.024 A 
ATOM     26  C   LIG    1       -2.140  -1.185   2.547  0.00  0.00    +0.051 A 
BRANCH  21  27
ATOM     27  O   LIG    1       -4.637  -0.489  -0.047  0.00  0.00    -0.452 OA
BRANCH  27  28
ATOM     28  C   LIG    1       -4.926   0.612  -0.820  0.00  0.00    +0.129 A 
ATOM     29  C   LIG    1       -3.968   1.560  -1.189  0.00  0.00    +0.046 A 
ATOM     30  C   LIG    1       -4.331   2.630  -2.009  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1       -5.643   2.742  -2.471  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -6.592   1.782  -2.121  0.00  0.00    +0.004 A 
ATOM     33  C   LIG    1       -6.232   0.712  -1.301  0.00  0.00    +0.046 A 
ENDBRANCH  27  28
ENDBRANCH  21  27
ENDBRANCH  19  20
ENDBRANCH   1  19
TORSDOF 12