REMARK  Name = BDB017516
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.339  -0.228  -1.710  0.00  0.00    +0.221 A 
ATOM      2  N   LIG    1        0.280   0.033  -0.927  0.00  0.00    -0.195 NA
ATOM      3  C   LIG    1       -0.904  -0.082  -1.526  0.00  0.00    +0.167 A 
ATOM      4  N   LIG    1       -2.168   0.125  -0.959  0.00  0.00    -0.271 N 
ATOM      5  C   LIG    1       -3.154  -0.143  -1.931  0.00  0.00    +0.331 A 
ATOM      6  N   LIG    1       -2.462  -0.478  -3.112  0.00  0.00    -0.292 N 
ATOM      7  C   LIG    1       -3.054  -0.844  -4.366  0.00  0.00    +0.154 C 
ATOM      8  O   LIG    1       -4.364  -0.100  -1.783  0.00  0.00    -0.246 OA
ATOM      9  C   LIG    1       -1.096  -0.441  -2.840  0.00  0.00    +0.107 A 
ATOM     10  C   LIG    1        0.017  -0.687  -3.574  0.00  0.00    +0.144 A 
ATOM     11  N   LIG    1        1.246  -0.580  -3.020  0.00  0.00    -0.220 NA
ENDROOT
BRANCH   4  12
ATOM     12  C   LIG    1       -2.381   0.466   0.435  0.00  0.00    +0.119 C 
ATOM     13  C   LIG    1       -3.284   1.698   0.614  0.00  0.00    +0.185 C 
ATOM     14  O   LIG    1       -3.447   2.017   2.001  0.00  0.00    -0.378 OA
ATOM     15  C   LIG    1       -4.084   0.959   2.717  0.00  0.00    +0.160 C 
ATOM     16  C   LIG    1       -3.241  -0.309   2.669  0.00  0.00    +0.030 C 
ATOM     17  C   LIG    1       -2.954  -0.717   1.227  0.00  0.00    +0.030 C 
ENDBRANCH   4  12
BRANCH   1  18
ATOM     18  N   LIG    1        2.644  -0.148  -1.230  0.00  0.00    -0.282 N 
ATOM     19  H   LIG    1        3.283  -0.360  -1.982  0.00  0.00    +0.155 HD
BRANCH  18  22
ATOM     20  C   LIG    1        5.518  -0.028  -1.033  0.00  0.00    +0.046 C 
ATOM     21  C   LIG    1        4.640   0.173   0.175  0.00  0.00    -0.024 A 
ATOM     22  C   LIG    1        3.157   0.111   0.022  0.00  0.00    +0.055 A 
ATOM     23  C   LIG    1        2.433   0.309   1.145  0.00  0.00    +0.138 A 
ATOM     24  N   LIG    1        3.038   0.554   2.371  0.00  0.00    -0.219 N 
ATOM     25  C   LIG    1        4.418   0.613   2.528  0.00  0.00    +0.156 A 
ATOM     26  N   LIG    1        4.727   0.856   3.782  0.00  0.00    -0.215 NA
ATOM     27  C   LIG    1        3.505   0.940   4.377  0.00  0.00    +0.246 A 
ATOM     28  N   LIG    1        2.453   0.762   3.578  0.00  0.00    -0.154 NA
ATOM     29  C   LIG    1        5.216   0.414   1.375  0.00  0.00    +0.053 A 
ENDBRANCH  18  22
ENDBRANCH   1  18
TORSDOF 3