REMARK  Name = BDB014149
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.969   0.525  -0.496  0.00  0.00    +0.091 A 
ATOM      2  N   LIG    1        2.031   1.851  -0.204  0.00  0.00    -0.253 NA
ATOM      3  C   LIG    1        3.257   2.393  -0.059  0.00  0.00    +0.112 A 
ATOM      4  C   LIG    1        4.437   1.679  -0.179  0.00  0.00    +0.030 A 
ATOM      5  C   LIG    1        4.361   0.316  -0.466  0.00  0.00    +0.008 A 
ATOM      6  C   LIG    1        3.103  -0.266  -0.639  0.00  0.00    +0.040 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1        5.546  -0.502  -0.612  0.00  0.00    +0.124 A 
ATOM      8  C   LIG    1        6.681  -0.498   0.166  0.00  0.00    +0.166 A 
ATOM      9  N   LIG    1        7.460  -1.470  -0.387  0.00  0.00    -0.253 N 
ATOM     10  H   LIG    1        8.380  -1.799  -0.109  0.00  0.00    +0.191 HD
ATOM     11  N   LIG    1        6.857  -2.048  -1.433  0.00  0.00    -0.067 NA
ATOM     12  N   LIG    1        5.673  -1.470  -1.576  0.00  0.00    -0.129 NA
BRANCH   8  13
ATOM     13  C   LIG    1        7.122   0.244   1.340  0.00  0.00    +0.436 C 
ATOM     14  F   LIG    1        6.181   0.293   2.311  0.00  0.00    -0.164 F 
ATOM     15  F   LIG    1        7.450   1.523   1.032  0.00  0.00    -0.164 F 
ATOM     16  F   LIG    1        8.230  -0.317   1.891  0.00  0.00    -0.164 F 
ENDBRANCH   8  13
ENDBRANCH   5   7
BRANCH   1  19
ATOM     17  N   LIG    1       -1.531  -0.297  -0.777  0.00  0.00    -0.329 N 
ATOM     18  C   LIG    1       -0.550   0.634  -0.576  0.00  0.00    +0.117 A 
ATOM     19  C   LIG    1        0.643  -0.057  -0.654  0.00  0.00    +0.107 A 
ATOM     20  N   LIG    1        0.405  -1.389  -0.911  0.00  0.00    -0.234 NA
ATOM     21  C   LIG    1       -0.902  -1.501  -0.983  0.00  0.00    +0.200 A 
BRANCH  17  22
ATOM     22  C   LIG    1       -2.988  -0.110  -0.841  0.00  0.00    +0.121 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -3.690  -0.890   0.268  0.00  0.00    -0.024 A 
ATOM     24  C   LIG    1       -4.819  -1.671  -0.037  0.00  0.00    +0.006 A 
ATOM     25  C   LIG    1       -5.481  -2.389   0.961  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -5.026  -2.339   2.276  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -3.910  -1.571   2.596  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -3.246  -0.851   1.601  0.00  0.00    +0.006 A 
ENDBRANCH  22  23
BRANCH  22  30
ATOM     29  C   LIG    1       -3.524   2.175   0.302  0.00  0.00    +0.009 C 
ATOM     30  C   LIG    1       -3.473   1.367  -1.000  0.00  0.00    +0.010 C 
ATOM     31  C   LIG    1       -4.851   1.430  -1.675  0.00  0.00    +0.009 C 
ENDBRANCH  22  30
ENDBRANCH  17  22
ENDBRANCH   1  19
TORSDOF 6