REMARK  Name = BDB014803
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.177   0.116   0.264  0.00  0.00    -0.298 N 
ATOM      2  H   LIG    1       -1.504  -0.004   1.212  0.00  0.00    +0.154 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -2.099   0.417  -0.684  0.00  0.00    +0.150 A 
ATOM      4  C   LIG    1       -3.479   0.568  -0.372  0.00  0.00    +0.032 A 
ATOM      5  C   LIG    1       -4.212   0.456   0.915  0.00  0.00    +0.148 C 
ATOM      6  N   LIG    1       -5.672   0.563   0.704  0.00  0.00    -0.297 N 
ATOM      7  C   LIG    1       -6.141   1.470  -0.365  0.00  0.00    +0.114 C 
ATOM      8  C   LIG    1       -5.535   1.138  -1.744  0.00  0.00    +0.074 C 
ATOM      9  C   LIG    1       -6.590   0.185   1.677  0.00  0.00    +0.213 C 
ATOM     10  O   LIG    1       -7.785   0.473   1.617  0.00  0.00    -0.276 OA
ATOM     11  C   LIG    1       -6.069  -0.627   2.837  0.00  0.00    +0.109 C 
ATOM     12  C   LIG    1       -4.086   0.881  -1.569  0.00  0.00    +0.047 A 
ATOM     13  N   LIG    1       -3.107   0.879  -2.508  0.00  0.00    -0.269 N 
ATOM     14  C   LIG    1       -3.227   1.128  -3.924  0.00  0.00    +0.172 C 
ATOM     15  N   LIG    1       -1.895   0.620  -1.991  0.00  0.00    -0.156 NA
ENDBRANCH   1   3
BRANCH   1  19
ATOM     16  C   LIG    1        3.045  -0.511   0.162  0.00  0.00    -0.018 A 
ATOM     17  C   LIG    1        2.341  -0.222  -1.015  0.00  0.00    +0.010 A 
ATOM     18  C   LIG    1        0.955  -0.012  -1.001  0.00  0.00    +0.024 A 
ATOM     19  C   LIG    1        0.221  -0.086   0.184  0.00  0.00    +0.032 A 
ATOM     20  C   LIG    1        0.926  -0.376   1.363  0.00  0.00    +0.024 A 
ATOM     21  C   LIG    1        2.312  -0.584   1.353  0.00  0.00    +0.010 A 
BRANCH  16  25
ATOM     22  C   LIG    1        7.300  -1.154   0.118  0.00  0.00    +0.120 A 
ATOM     23  C   LIG    1        6.740  -0.211   0.977  0.00  0.00    +0.046 A 
ATOM     24  C   LIG    1        5.354  -0.004   0.989  0.00  0.00    +0.012 A 
ATOM     25  C   LIG    1        4.499  -0.732   0.145  0.00  0.00    -0.018 A 
ATOM     26  C   LIG    1        5.079  -1.677  -0.714  0.00  0.00    +0.012 A 
ATOM     27  C   LIG    1        6.462  -1.885  -0.726  0.00  0.00    +0.046 A 
BRANCH  22  29
ATOM     28  C   LIG    1        9.524  -0.728   0.838  0.00  0.00    +0.277 C 
ATOM     29  O   LIG    1        8.629  -1.454   0.006  0.00  0.00    -0.495 OA
ENDBRANCH  22  29
ENDBRANCH  16  25
ENDBRANCH   1  19
TORSDOF 4