REMARK  Name = BDB036203
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.050   0.640   0.055  0.00  0.00    -0.326 N 
ATOM      2  C   LIG    1        1.712   1.929   0.680  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1        0.333   2.421   0.188  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1       -0.789   1.512   0.510  0.00  0.00    -0.295 NA
ATOM      5  C   LIG    1       -0.338   0.102   0.544  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1        0.914  -0.229  -0.303  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1        5.968  -0.721  -0.410  0.00  0.00    +0.125 A 
ATOM      8  N   LIG    1        4.986  -1.321  -1.117  0.00  0.00    -0.249 NA
ATOM      9  C   LIG    1        3.728  -0.845  -0.932  0.00  0.00    +0.134 A 
ATOM     10  C   LIG    1        3.356   0.205  -0.082  0.00  0.00    +0.048 A 
ATOM     11  C   LIG    1        4.419   0.787   0.619  0.00  0.00    +0.027 A 
ATOM     12  C   LIG    1        5.732   0.330   0.465  0.00  0.00    +0.035 A 
BRANCH   7  16
ATOM     13  C   LIG    1        9.712  -0.680  -0.981  0.00  0.00    +0.128 C 
ATOM     14  N   LIG    1        8.364  -0.292  -0.649  0.00  0.00    -0.313 N 
ATOM     15  H   LIG    1        8.097   0.670  -0.812  0.00  0.00    +0.149 HD
ATOM     16  C   LIG    1        7.357  -1.249  -0.612  0.00  0.00    +0.262 C 
ATOM     17  O   LIG    1        7.571  -2.448  -0.750  0.00  0.00    -0.269 OA
ENDBRANCH   7  16
ENDBRANCH   1  10
BRANCH   4  18
ATOM     18  C   LIG    1       -1.903   1.729  -0.427  0.00  0.00    +0.122 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -3.210   1.142   0.053  0.00  0.00    +0.004 A 
ATOM     20  C   LIG    1       -4.002   0.378  -0.806  0.00  0.00    +0.153 A 
ATOM     21  F   LIG    1       -3.588   0.139  -2.062  0.00  0.00    -0.203 F 
ATOM     22  C   LIG    1       -5.224  -0.149  -0.383  0.00  0.00    +0.104 A 
ATOM     23  C   LIG    1       -5.688   0.086   0.917  0.00  0.00    +0.090 A 
ATOM     24  N   LIG    1       -6.912  -0.425   1.384  0.00  0.00    -0.245 NA
ATOM     25  C   LIG    1       -7.629  -1.140   0.565  0.00  0.00    +0.103 A 
ATOM     26  C   LIG    1       -7.205  -1.446  -0.871  0.00  0.00    +0.270 A 
ATOM     27  O   LIG    1       -7.915  -2.121  -1.601  0.00  0.00    -0.266 OA
ATOM     28  C   LIG    1       -8.944  -1.710   1.011  0.00  0.00    +0.071 C 
ATOM     29  C   LIG    1       -4.907   0.857   1.778  0.00  0.00    +0.030 A 
ATOM     30  N   LIG    1       -6.002  -0.917  -1.258  0.00  0.00    -0.317 N 
ATOM     31  H   LIG    1       -5.682  -1.096  -2.201  0.00  0.00    +0.169 HD
ATOM     32  C   LIG    1       -3.682   1.385   1.353  0.00  0.00    +0.010 A 
ENDBRANCH  18  19
ENDBRANCH   4  18
TORSDOF 4