REMARK  Name = BDB014050
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.831   0.073   0.239  0.00  0.00    -0.242 N 
ATOM      2  C   LIG    1       -0.596   1.363   0.637  0.00  0.00    +0.164 A 
ATOM      3  C   LIG    1        0.780   1.518   0.645  0.00  0.00    +0.087 A 
ATOM      4  C   LIG    1        1.268   2.754   1.080  0.00  0.00    +0.131 A 
ATOM      5  N   LIG    1        0.391   3.727   1.395  0.00  0.00    -0.220 NA
ATOM      6  C   LIG    1       -0.926   3.454   1.313  0.00  0.00    +0.225 A 
ATOM      7  C   LIG    1        1.275   0.282   0.162  0.00  0.00    +0.121 A 
ATOM      8  N   LIG    1       -1.508   2.296   0.961  0.00  0.00    -0.216 NA
ATOM      9  N   LIG    1        0.299  -0.615  -0.038  0.00  0.00    -0.167 NA
ENDROOT
BRANCH   7  10
ATOM     10  C   LIG    1        2.754  -0.080  -0.164  0.00  0.00    +0.069 A 
ATOM     11  N   LIG    1        3.810   0.790  -0.133  0.00  0.00    -0.352 N 
ATOM     12  H   LIG    1        3.742   1.779   0.084  0.00  0.00    +0.166 HD
ATOM     13  C   LIG    1        4.975   0.140  -0.472  0.00  0.00    +0.066 A 
ATOM     14  C   LIG    1        4.636  -1.185  -0.757  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1        5.654  -2.079  -1.146  0.00  0.00    +0.055 A 
ATOM     16  C   LIG    1        6.966  -1.606  -1.230  0.00  0.00    +0.119 A 
ATOM     17  C   LIG    1        7.288  -0.285  -0.943  0.00  0.00    +0.067 A 
ATOM     18  C   LIG    1        6.290   0.611  -0.559  0.00  0.00    +0.068 A 
ATOM     19 CL   LIG    1        6.675   2.246  -0.198  0.00  0.00    -0.081 Cl
ATOM     20  C   LIG    1        3.231  -1.307  -0.569  0.00  0.00    +0.038 A 
BRANCH  16  21
ATOM     21  O   LIG    1        7.987  -2.435  -1.602  0.00  0.00    -0.507 OA
ATOM     22  H   LIG    1        7.623  -3.319  -1.777  0.00  0.00    +0.292 HD
ENDBRANCH  16  21
ENDBRANCH   7  10
BRANCH   1  28
ATOM     23  C   LIG    1       -7.183  -0.675  -1.038  0.00  0.00    +0.109 C 
ATOM     24  C   LIG    1       -6.367  -1.106   0.155  0.00  0.00    +0.212 C 
ATOM     25  N   LIG    1       -4.985  -0.922   0.084  0.00  0.00    -0.302 N 
ATOM     26  C   LIG    1       -4.281  -0.724  -1.184  0.00  0.00    +0.110 C 
ATOM     27  C   LIG    1       -2.979   0.048  -1.006  0.00  0.00    +0.046 C 
ATOM     28  C   LIG    1       -2.116  -0.595   0.082  0.00  0.00    +0.112 C 
ATOM     29  C   LIG    1       -2.893  -0.694   1.397  0.00  0.00    +0.046 C 
ATOM     30  C   LIG    1       -4.192  -1.461   1.188  0.00  0.00    +0.110 C 
ATOM     31  O   LIG    1       -6.926  -1.585   1.142  0.00  0.00    -0.276 OA
ENDBRANCH   1  28
BRANCH   4  32
ATOM     32  N   LIG    1        2.622   3.051   1.274  0.00  0.00    -0.342 N 
ATOM     33  H   LIG    1        2.997   2.438   1.996  0.00  0.00    +0.144 HD
ATOM     34  H   LIG    1        2.652   4.016   1.604  0.00  0.00    +0.144 HD
ENDBRANCH   4  32
TORSDOF 4