REMARK  Name = BDB063648
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.564  -0.892  -0.120  0.00  0.00    +0.270 C 
ATOM      2  N   LIG    1        1.627  -0.041   0.092  0.00  0.00    -0.274 N 
ATOM      3  H   LIG    1        1.371   0.913   0.353  0.00  0.00    +0.155 HD
ATOM      4  O   LIG    1        0.644  -2.103  -0.292  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        2.968  -0.304   0.124  0.00  0.00    +0.122 A 
ATOM      6  C   LIG    1        3.904   0.742   0.650  0.00  0.00    +0.293 A 
ATOM      7  O   LIG    1        3.511   1.842   1.012  0.00  0.00    -0.264 OA
ATOM      8  N   LIG    1        5.194   0.212   0.566  0.00  0.00    -0.213 N 
ATOM      9  N   LIG    1        5.109  -1.109   0.050  0.00  0.00    -0.282 N 
ATOM     10  C   LIG    1        5.804  -2.116   0.873  0.00  0.00    +0.171 C 
ATOM     11  C   LIG    1        3.749  -1.334  -0.240  0.00  0.00    +0.059 A 
ATOM     12  C   LIG    1        3.361  -2.601  -0.931  0.00  0.00    +0.067 C 
BRANCH   8  13
ATOM     13  C   LIG    1        6.394   0.974   0.504  0.00  0.00    +0.102 A 
ATOM     14  C   LIG    1        7.545   0.534  -0.171  0.00  0.00    +0.149 A 
ATOM     15  F   LIG    1        7.570  -0.633  -0.833  0.00  0.00    -0.203 F 
ATOM     16  C   LIG    1        8.711   1.302  -0.213  0.00  0.00    +0.040 A 
ATOM     17  C   LIG    1        8.755   2.539   0.421  0.00  0.00    +0.003 A 
ATOM     18  C   LIG    1        7.630   3.002   1.094  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1        6.463   2.228   1.133  0.00  0.00    +0.031 A 
ENDBRANCH   8  13
ENDBRANCH   2   5
BRANCH   1  25
ATOM     20  C   LIG    1       -2.375  -2.174  -0.602  0.00  0.00    +0.050 C 
ATOM     21  C   LIG    1       -2.037  -0.766  -0.284  0.00  0.00    +0.029 A 
ATOM     22  C   LIG    1       -2.888   0.308  -0.130  0.00  0.00    +0.172 A 
ATOM     23  O   LIG    1       -2.163   1.422   0.153  0.00  0.00    -0.354 OA
ATOM     24  N   LIG    1       -0.819   1.109   0.187  0.00  0.00    -0.073 NA
ATOM     25  C   LIG    1       -0.738  -0.207  -0.079  0.00  0.00    +0.171 A 
BRANCH  22  26
ATOM     26  C   LIG    1       -4.329   0.491  -0.161  0.00  0.00    +0.039 A 
ATOM     27  C   LIG    1       -4.970   1.347  -1.067  0.00  0.00    +0.052 A 
ATOM     28 CL   LIG    1       -4.099   2.239  -2.268  0.00  0.00    -0.083 Cl
ATOM     29  C   LIG    1       -6.364   1.488  -1.048  0.00  0.00    +0.024 A 
ATOM     30  C   LIG    1       -7.164   0.777  -0.139  0.00  0.00    -0.043 A 
ATOM     31  C   LIG    1       -6.510  -0.072   0.765  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1       -5.119  -0.219   0.754  0.00  0.00    +0.013 A 
BRANCH  30  33
ATOM     33  C   LIG    1       -8.663   0.946  -0.114  0.00  0.00    +0.019 C 
ATOM     34  C   LIG    1       -9.472   0.719  -1.371  0.00  0.00    +0.009 C 
ATOM     35  C   LIG    1       -9.563  -0.261  -0.242  0.00  0.00    +0.009 C 
ENDBRANCH  30  33
ENDBRANCH  22  26
ENDBRANCH   1  25
TORSDOF 5