REMARK  Name = BDB007842
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.050   0.166   0.453  0.00  0.00    +0.125 A 
ATOM      2  N   LIG    1        1.070  -0.710   0.714  0.00  0.00    -0.233 NA
ATOM      3  C   LIG    1       -0.219  -0.302   0.581  0.00  0.00    +0.083 A 
ATOM      4  C   LIG    1       -1.294  -1.303   0.865  0.00  0.00    +0.172 C 
ATOM      5  N   LIG    1       -2.488  -1.040   0.078  0.00  0.00    -0.246 N 
ATOM      6  C   LIG    1       -2.975   0.281   0.034  0.00  0.00    +0.318 C 
ATOM      7  N   LIG    1       -1.993   1.298   0.149  0.00  0.00    -0.222 N 
ATOM      8  O   LIG    1       -4.182   0.520  -0.056  0.00  0.00    -0.251 OA
ATOM      9  C   LIG    1       -0.601   0.988   0.246  0.00  0.00    +0.066 A 
ATOM     10  C   LIG    1        0.436   1.881  -0.039  0.00  0.00    +0.029 A 
ATOM     11  C   LIG    1        1.769   1.471   0.070  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   5  12
ATOM     12  C   LIG    1       -3.354  -2.130  -0.271  0.00  0.00    +0.075 A 
ATOM     13  C   LIG    1       -4.198  -2.043  -1.394  0.00  0.00    +0.145 A 
ATOM     14  F   LIG    1       -4.146  -0.979  -2.210  0.00  0.00    -0.204 F 
ATOM     15  C   LIG    1       -5.048  -3.089  -1.753  0.00  0.00    +0.041 A 
ATOM     16  C   LIG    1       -5.064  -4.259  -0.998  0.00  0.00    +0.023 A 
ATOM     17  C   LIG    1       -4.218  -4.373   0.102  0.00  0.00    +0.043 A 
ATOM     18 CL   LIG    1       -4.229  -5.821   1.034  0.00  0.00    -0.083 Cl
ATOM     19  C   LIG    1       -3.362  -3.326   0.463  0.00  0.00    +0.046 A 
ENDBRANCH   5  12
BRANCH   7  20
ATOM     20  C   LIG    1       -2.391   2.676   0.129  0.00  0.00    +0.043 A 
ATOM     21  C   LIG    1       -3.341   3.136  -0.794  0.00  0.00    +0.024 A 
ATOM     22  C   LIG    1       -3.738   4.477  -0.807  0.00  0.00    +0.002 A 
ATOM     23  C   LIG    1       -3.200   5.374   0.112  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -2.271   4.931   1.050  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1       -1.874   3.591   1.062  0.00  0.00    +0.024 A 
ENDBRANCH   7  20
BRANCH   1  27
ATOM     26  C   LIG    1        3.859  -1.466   0.883  0.00  0.00    +0.235 C 
ATOM     27  N   LIG    1        3.395  -0.202   0.564  0.00  0.00    -0.269 N 
ATOM     28  H   LIG    1        4.078   0.504   0.344  0.00  0.00    +0.156 HD
ATOM     29  O   LIG    1        3.165  -2.459   1.094  0.00  0.00    -0.274 OA
BRANCH  26  30
ATOM     30  C   LIG    1        5.404  -1.568   0.975  0.00  0.00    +0.137 C 
ATOM     31  C   LIG    1        6.037  -0.490   1.853  0.00  0.00    +0.034 C 
BRANCH  30  33
ATOM     32  C   LIG    1        6.068  -0.563  -1.214  0.00  0.00    +0.101 C 
ATOM     33  N   LIG    1        6.040  -1.727  -0.350  0.00  0.00    -0.309 NA
ATOM     34  H   LIG    1        6.992  -2.069  -0.214  0.00  0.00    +0.122 HD
ENDBRANCH  30  33
ENDBRANCH  26  30
ENDBRANCH   1  27
TORSDOF 5