REMARK  Name = BDB036198
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.324  -0.502  -1.142  0.00  0.00    -0.295 NA
ATOM      2  C   LIG    1        0.753  -0.879  -2.082  0.00  0.00    +0.103 C 
ATOM      3  C   LIG    1        1.984   0.056  -2.042  0.00  0.00    +0.120 C 
ATOM      4  N   LIG    1        2.591   0.056  -0.700  0.00  0.00    -0.324 N 
ATOM      5  C   LIG    1        1.690  -0.247   0.426  0.00  0.00    +0.120 C 
ATOM      6  C   LIG    1        0.224   0.115   0.084  0.00  0.00    +0.103 C 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        3.946   0.284  -0.500  0.00  0.00    +0.085 A 
ATOM      8  C   LIG    1        4.660  -0.104   0.656  0.00  0.00    +0.235 A 
ATOM      9  F   LIG    1        4.016  -0.774   1.629  0.00  0.00    -0.182 F 
ATOM     10  N   LIG    1        5.978   0.105   0.893  0.00  0.00    -0.213 NA
ATOM     11  C   LIG    1        6.659   0.747  -0.085  0.00  0.00    +0.129 A 
ATOM     12  C   LIG    1        6.082   1.182  -1.267  0.00  0.00    +0.035 A 
ATOM     13  C   LIG    1        4.721   0.945  -1.465  0.00  0.00    +0.030 A 
BRANCH  11  14
ATOM     14  C   LIG    1        8.117   0.986   0.168  0.00  0.00    +0.262 C 
ATOM     15  N   LIG    1        8.577   0.475   1.363  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1        7.873   0.078   1.982  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1        9.912   0.710   1.839  0.00  0.00    +0.128 C 
ATOM     18  O   LIG    1        8.813   1.595  -0.636  0.00  0.00    -0.269 OA
ENDBRANCH  11  14
ENDBRANCH   4   7
BRANCH   1  19
ATOM     19  C   LIG    1       -1.200  -1.652  -0.883  0.00  0.00    +0.122 C 
BRANCH  19  29
ATOM     20  C   LIG    1       -7.198   0.462   0.375  0.00  0.00    +0.106 A 
ATOM     21  C   LIG    1       -6.915   0.726  -1.107  0.00  0.00    +0.271 A 
ATOM     22  O   LIG    1       -7.756   1.253  -1.819  0.00  0.00    -0.266 OA
ATOM     23  N   LIG    1       -5.681   0.334  -1.555  0.00  0.00    -0.317 N 
ATOM     24  H   LIG    1       -5.449   0.492  -2.527  0.00  0.00    +0.169 HD
ATOM     25  C   LIG    1       -4.747  -0.265  -0.701  0.00  0.00    +0.104 A 
ATOM     26  C   LIG    1       -5.084  -0.471   0.641  0.00  0.00    +0.090 A 
ATOM     27  C   LIG    1       -4.148  -1.074   1.483  0.00  0.00    +0.030 A 
ATOM     28  C   LIG    1       -2.893  -1.462   0.998  0.00  0.00    +0.010 A 
ATOM     29  C   LIG    1       -2.552  -1.250  -0.347  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1       -3.498  -0.653  -1.186  0.00  0.00    +0.153 A 
ATOM     31  F   LIG    1       -3.215  -0.460  -2.485  0.00  0.00    -0.203 F 
ATOM     32  N   LIG    1       -6.331  -0.098   1.171  0.00  0.00    -0.245 NA
BRANCH  20  34
ATOM     33  C   LIG    1       -8.800   0.616   2.343  0.00  0.00    +0.010 C 
ATOM     34  C   LIG    1       -8.562   0.894   0.870  0.00  0.00    +0.057 C 
ENDBRANCH  20  34
ENDBRANCH  19  29
ENDBRANCH   1  19
TORSDOF 5