REMARK  Name = BDB032312
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.840   1.456  -1.274  0.00  0.00    -0.012 A 
ATOM      2  C   LIG    1        0.034   2.436  -0.828  0.00  0.00    +0.118 A 
ATOM      3  N   LIG    1        1.273   2.192  -0.337  0.00  0.00    -0.240 NA
ATOM      4  C   LIG    1        1.709   0.916  -0.275  0.00  0.00    +0.122 A 
ATOM      5  C   LIG    1        0.881  -0.129  -0.688  0.00  0.00    +0.044 A 
ATOM      6  C   LIG    1       -0.391   0.141  -1.195  0.00  0.00    +0.010 A 
ENDROOT
BRANCH   4   7
ATOM      7  N   LIG    1        2.980   0.644   0.255  0.00  0.00    -0.306 N 
ATOM      8  C   LIG    1        3.631   1.843   0.844  0.00  0.00    +0.182 C 
ATOM      9  C   LIG    1        5.033   1.581   1.296  0.00  0.00    +0.151 A 
ATOM     10  N   LIG    1        5.844   2.332   2.008  0.00  0.00    -0.133 NA
ATOM     11  N   LIG    1        7.041   1.660   2.130  0.00  0.00    -0.128 NA
ATOM     12  C   LIG    1        6.938   0.511   1.486  0.00  0.00    +0.200 A 
ATOM     13  N   LIG    1        5.690   0.437   0.938  0.00  0.00    -0.307 N 
ATOM     14  C   LIG    1        5.090  -0.626   0.162  0.00  0.00    +0.144 C 
ATOM     15  C   LIG    1        3.872  -0.127  -0.631  0.00  0.00    +0.128 C 
BRANCH  12  16
ATOM     16  C   LIG    1        7.962  -0.546   1.353  0.00  0.00    +0.408 C 
ATOM     17  F   LIG    1        8.330  -0.701   0.049  0.00  0.00    -0.201 F 
ATOM     18  F   LIG    1        7.465  -1.756   1.736  0.00  0.00    -0.201 F 
ENDBRANCH  12  16
ENDBRANCH   4   7
BRANCH   1  19
ATOM     19  C   LIG    1       -2.204   1.812  -1.799  0.00  0.00    +0.138 C 
BRANCH  19  20
ATOM     20  N   LIG    1       -3.248   1.393  -0.869  0.00  0.00    -0.339 N 
ATOM     21  H   LIG    1       -2.973   1.612   0.084  0.00  0.00    +0.146 HD
BRANCH  20  25
ATOM     22  C   LIG    1       -5.939  -2.120   1.248  0.00  0.00    +0.124 A 
ATOM     23  C   LIG    1       -5.277  -1.622   0.096  0.00  0.00    +0.023 A 
ATOM     24  C   LIG    1       -4.606  -0.373   0.187  0.00  0.00    +0.008 A 
ATOM     25  C   LIG    1       -3.896   0.146  -0.948  0.00  0.00    +0.035 A 
ATOM     26  C   LIG    1       -3.980  -0.556  -2.161  0.00  0.00    +0.023 A 
ATOM     27  C   LIG    1       -4.642  -1.777  -2.253  0.00  0.00    +0.003 A 
ATOM     28  C   LIG    1       -4.685   0.298   1.424  0.00  0.00    +0.030 A 
ATOM     29  C   LIG    1       -5.365  -0.275   2.483  0.00  0.00    +0.113 A 
ATOM     30  C   LIG    1       -5.269  -2.310  -1.135  0.00  0.00    +0.012 A 
ATOM     31  N   LIG    1       -5.981  -1.465   2.419  0.00  0.00    -0.240 NA
BRANCH  22  32
ATOM     32  N   LIG    1       -6.619  -3.349   1.229  0.00  0.00    -0.343 N 
ATOM     33  H   LIG    1       -5.971  -4.088   0.977  0.00  0.00    +0.144 HD
ATOM     34  H   LIG    1       -7.360  -3.309   0.538  0.00  0.00    +0.144 HD
ENDBRANCH  22  32
ENDBRANCH  20  25
ENDBRANCH  19  20
ENDBRANCH   1  19
TORSDOF 6