REMARK  Name = BDB039298
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.025  -1.752   0.120  0.00  0.00    -0.295 NA
ATOM      2  C   LIG    1        0.385  -0.436  -0.451  0.00  0.00    +0.103 C 
ATOM      3  C   LIG    1        1.581   0.286   0.213  0.00  0.00    +0.120 C 
ATOM      4  N   LIG    1        2.784  -0.568   0.248  0.00  0.00    -0.324 N 
ATOM      5  C   LIG    1        2.556  -2.013   0.065  0.00  0.00    +0.120 C 
ATOM      6  C   LIG    1        1.209  -2.421   0.706  0.00  0.00    +0.103 C 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        4.051  -0.015   0.078  0.00  0.00    +0.085 A 
ATOM      8  C   LIG    1        5.157  -0.682  -0.492  0.00  0.00    +0.235 A 
ATOM      9  F   LIG    1        5.002  -1.935  -0.953  0.00  0.00    -0.182 F 
ATOM     10  N   LIG    1        6.401  -0.171  -0.647  0.00  0.00    -0.213 NA
ATOM     11  C   LIG    1        6.591   1.091  -0.213  0.00  0.00    +0.129 A 
ATOM     12  C   LIG    1        5.591   1.856   0.371  0.00  0.00    +0.035 A 
ATOM     13  C   LIG    1        4.322   1.291   0.515  0.00  0.00    +0.030 A 
BRANCH  11  14
ATOM     14  C   LIG    1        7.968   1.654  -0.388  0.00  0.00    +0.262 C 
ATOM     15  N   LIG    1        8.454   2.394   0.681  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1        8.001   2.289   1.580  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1        9.819   2.860   0.672  0.00  0.00    +0.128 C 
ATOM     18  O   LIG    1        8.611   1.453  -1.411  0.00  0.00    -0.269 OA
ENDBRANCH  11  14
ENDBRANCH   4   7
BRANCH   1  19
ATOM     19  C   LIG    1       -1.053  -1.665   1.119  0.00  0.00    +0.122 C 
BRANCH  19  29
ATOM     20  C   LIG    1       -7.066   0.171  -0.359  0.00  0.00    +0.259 C 
ATOM     21  C   LIG    1       -6.486   1.255   0.573  0.00  0.00    +0.258 C 
ATOM     22  O   LIG    1       -7.105   2.243   0.960  0.00  0.00    -0.271 OA
ATOM     23  N   LIG    1       -5.227   0.986   1.038  0.00  0.00    -0.277 N 
ATOM     24  H   LIG    1       -4.833   1.609   1.733  0.00  0.00    +0.155 HD
ATOM     25  C   LIG    1       -4.463  -0.062   0.517  0.00  0.00    +0.112 A 
ATOM     26  C   LIG    1       -4.941  -0.801  -0.563  0.00  0.00    +0.146 A 
ATOM     27  C   LIG    1       -4.157  -1.813  -1.113  0.00  0.00    +0.048 A 
ATOM     28  C   LIG    1       -2.900  -2.098  -0.570  0.00  0.00    +0.011 A 
ATOM     29  C   LIG    1       -2.403  -1.356   0.515  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1       -3.202  -0.340   1.047  0.00  0.00    +0.152 A 
ATOM     31  F   LIG    1       -2.753   0.390   2.081  0.00  0.00    -0.203 F 
ATOM     32  O   LIG    1       -6.138  -0.545  -1.174  0.00  0.00    -0.478 OA
BRANCH  20  34
ATOM     33  C   LIG    1       -8.876  -0.274  -2.093  0.00  0.00    +0.008 C 
ATOM     34  C   LIG    1       -8.142   0.778  -1.270  0.00  0.00    +0.051 C 
ENDBRANCH  20  34
ENDBRANCH  19  29
ENDBRANCH   1  19
TORSDOF 5