REMARK  Name = BDB014368
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.873  -0.368  -0.259  0.00  0.00    +0.197 A 
ATOM      2  N   LIG    1       -2.314  -1.181  -1.271  0.00  0.00    -0.326 N 
ATOM      3  H   LIG    1       -1.730  -1.790  -1.818  0.00  0.00    +0.169 HD
ATOM      4  C   LIG    1       -3.663  -0.991  -1.434  0.00  0.00    +0.068 A 
ATOM      5  C   LIG    1       -3.985  -0.004  -0.504  0.00  0.00    +0.103 A 
ATOM      6  C   LIG    1       -5.321   0.428  -0.423  0.00  0.00    +0.064 A 
ATOM      7  C   LIG    1       -6.280  -0.148  -1.279  0.00  0.00    +0.015 A 
ATOM      8  C   LIG    1       -5.915  -1.133  -2.199  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1       -4.592  -1.575  -2.299  0.00  0.00    +0.028 A 
ATOM     10  N   LIG    1       -2.863   0.352   0.212  0.00  0.00    -0.214 NA
ENDROOT
BRANCH   1  14
ATOM     11  N   LIG    1        2.070  -0.388   1.355  0.00  0.00    -0.297 N 
ATOM     12  C   LIG    1        1.290  -1.619   1.178  0.00  0.00    +0.127 C 
ATOM     13  C   LIG    1        0.315  -1.504  -0.013  0.00  0.00    +0.127 C 
ATOM     14  N   LIG    1       -0.572  -0.332   0.112  0.00  0.00    -0.298 N 
ATOM     15  C   LIG    1       -0.191   0.672   1.128  0.00  0.00    +0.127 C 
ATOM     16  C   LIG    1        1.340   0.879   1.149  0.00  0.00    +0.127 C 
BRANCH  11  20
ATOM     17  C   LIG    1        5.979  -0.328  -0.007  0.00  0.00    +0.156 A 
ATOM     18  C   LIG    1        5.223  -1.474   0.051  0.00  0.00    +0.161 A 
ATOM     19  N   LIG    1        3.942  -1.524   0.480  0.00  0.00    -0.219 NA
ATOM     20  C   LIG    1        3.373  -0.375   0.879  0.00  0.00    +0.218 A 
ATOM     21  N   LIG    1        4.035   0.795   0.857  0.00  0.00    -0.219 NA
ATOM     22  C   LIG    1        5.314   0.795   0.419  0.00  0.00    +0.161 A 
BRANCH  17  24
ATOM     23  C   LIG    1        8.014   0.770  -0.491  0.00  0.00    +0.277 C 
ATOM     24  O   LIG    1        7.254  -0.432  -0.463  0.00  0.00    -0.492 OA
ENDBRANCH  17  24
ENDBRANCH  11  20
ENDBRANCH   1  14
BRANCH   6  25
ATOM     25  C   LIG    1       -5.715   1.481   0.531  0.00  0.00    +0.244 C 
ATOM     26  O   LIG    1       -5.086   2.518   0.683  0.00  0.00    -0.270 OA
ATOM     27  N   LIG    1       -6.859   1.240   1.246  0.00  0.00    -0.325 N 
ATOM     28  H   LIG    1       -7.041   1.891   2.000  0.00  0.00    +0.145 HD
ATOM     29  H   LIG    1       -7.224   0.302   1.340  0.00  0.00    +0.145 HD
ENDBRANCH   6  25
TORSDOF 4