REMARK  Name = BDB053388
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.265   0.949   1.098  0.00  0.00    -0.294 N 
ATOM      2  C   LIG    1       -0.840  -0.170   0.488  0.00  0.00    +0.221 C 
ATOM      3  O   LIG    1       -0.444  -1.316   0.722  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   2   4
ATOM      4  C   LIG    1       -1.930   0.071  -0.560  0.00  0.00    +0.096 C 
ATOM      5  C   LIG    1       -2.932  -1.113  -0.617  0.00  0.00    +0.033 C 
ATOM      6  C   LIG    1       -3.505  -1.248  -2.036  0.00  0.00    +0.024 C 
ATOM      7  C   LIG    1       -2.384  -1.528  -3.043  0.00  0.00    +0.081 C 
ATOM      8  N   LIG    1       -1.103  -0.892  -2.728  0.00  0.00    -0.315 NA
ATOM      9  H   LIG    1       -0.525  -1.554  -2.202  0.00  0.00    +0.122 HD
ATOM     10  C   LIG    1       -1.262   0.323  -1.926  0.00  0.00    +0.094 C 
BRANCH   5  11
ATOM     11  C   LIG    1       -4.007  -1.000   0.457  0.00  0.00    -0.037 A 
ATOM     12  C   LIG    1       -4.042  -1.844   1.503  0.00  0.00    +0.074 A 
ATOM     13  C   LIG    1       -5.087  -1.730   2.558  0.00  0.00    +0.251 A 
ATOM     14  O   LIG    1       -5.082  -2.524   3.495  0.00  0.00    -0.268 OA
ATOM     15  N   LIG    1       -6.010  -0.701   2.387  0.00  0.00    -0.318 N 
ATOM     16  C   LIG    1       -7.064  -0.520   3.371  0.00  0.00    +0.152 C 
ATOM     17  C   LIG    1       -5.959   0.158   1.305  0.00  0.00    +0.089 A 
ATOM     18  C   LIG    1       -5.014   0.041   0.365  0.00  0.00    +0.022 A 
ENDBRANCH   5  11
ENDBRANCH   2   4
BRANCH   1  19
ATOM     19  C   LIG    1       -0.656   2.313   0.824  0.00  0.00    +0.077 C 
ATOM     20  C   LIG    1       -1.973   2.865   1.314  0.00  0.00    +0.024 C 
ATOM     21  C   LIG    1       -0.696   3.375   1.898  0.00  0.00    +0.024 C 
ENDBRANCH   1  19
BRANCH   1  22
ATOM     22  C   LIG    1        0.966   0.744   1.867  0.00  0.00    +0.143 C 
BRANCH  22  25
ATOM     23  C   LIG    1        3.788   0.358  -0.689  0.00  0.00    -0.046 A 
ATOM     24  C   LIG    1        2.669   0.089   0.112  0.00  0.00    +0.009 A 
ATOM     25  C   LIG    1        2.199   1.033   1.039  0.00  0.00    -0.029 A 
ATOM     26  C   LIG    1        2.865   2.261   1.156  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1        3.982   2.528   0.365  0.00  0.00    +0.018 A 
ATOM     28 BR   LIG    1        4.872   4.187   0.538  0.00  0.00    -0.050 Br
ATOM     29  C   LIG    1        4.446   1.587  -0.551  0.00  0.00    +0.019 A 
BRANCH  23  30
ATOM     30  C   LIG    1        4.285  -0.670  -1.676  0.00  0.00    +0.037 C 
BRANCH  30  31
ATOM     31  C   LIG    1        5.108  -1.788  -1.028  0.00  0.00    +0.033 C 
BRANCH  31  32
ATOM     32  C   LIG    1        6.449  -1.322  -0.460  0.00  0.00    +0.160 C 
BRANCH  32  34
ATOM     33  C   LIG    1        7.895  -1.475  -2.342  0.00  0.00    +0.193 C 
ATOM     34  O   LIG    1        7.237  -0.618  -1.419  0.00  0.00    -0.383 OA
ENDBRANCH  32  34
ENDBRANCH  31  32
ENDBRANCH  30  31
ENDBRANCH  23  30
ENDBRANCH  22  25
ENDBRANCH   1  22
TORSDOF 9