REMARK  Name = BDB016334
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.087   0.529  -0.864  0.00  0.00    +0.250 C 
ATOM      2  N   LIG    1        1.189  -0.278  -0.670  0.00  0.00    -0.278 N 
ATOM      3  H   LIG    1        1.184  -0.879   0.146  0.00  0.00    +0.155 HD
ATOM      4  O   LIG    1       -0.155   1.227  -1.843  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  18
ATOM      5  C   LIG    1       -4.406   2.084  -1.659  0.00  0.00    +0.028 C 
ATOM      6  C   LIG    1       -4.039   0.611  -1.825  0.00  0.00    +0.076 C 
ATOM      7  N   LIG    1       -2.700   0.314  -1.350  0.00  0.00    -0.339 N 
ATOM      8  H   LIG    1       -1.987   0.729  -1.968  0.00  0.00    +0.146 HD
ATOM      9  C   LIG    1       -2.303   0.419  -0.011  0.00  0.00    +0.061 A 
ATOM     10  C   LIG    1       -3.162   0.343   1.107  0.00  0.00    +0.055 A 
ATOM     11  C   LIG    1       -2.627   0.454   2.411  0.00  0.00    +0.025 A 
ATOM     12  C   LIG    1       -1.262   0.592   2.642  0.00  0.00    +0.003 A 
ATOM     13  C   LIG    1       -0.394   0.610   1.565  0.00  0.00    +0.015 A 
ATOM     14  N   LIG    1       -4.562   0.180   1.099  0.00  0.00    -0.284 N 
ATOM     15  H   LIG    1       -5.034   0.256   1.992  0.00  0.00    +0.155 HD
ATOM     16  C   LIG    1       -5.459  -0.089   0.122  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1       -6.653  -0.150   0.435  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1       -0.901   0.501   0.259  0.00  0.00    +0.060 A 
ATOM     19  C   LIG    1       -5.032  -0.383  -1.277  0.00  0.00    +0.118 C 
ENDBRANCH   1  18
BRANCH   2  20
ATOM     20  C   LIG    1        2.330  -0.413  -1.490  0.00  0.00    +0.076 A 
ATOM     21  C   LIG    1        3.348  -1.292  -1.069  0.00  0.00    +0.150 A 
ATOM     22  C   LIG    1        4.486  -1.508  -1.850  0.00  0.00    +0.048 A 
ATOM     23  C   LIG    1        4.645  -0.811  -3.045  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1        3.660   0.086  -3.458  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1        2.509   0.283  -2.686  0.00  0.00    +0.027 A 
BRANCH  21  26
ATOM     26  O   LIG    1        3.234  -2.025   0.092  0.00  0.00    -0.454 OA
BRANCH  26  27
ATOM     27  C   LIG    1        3.422  -1.370   1.293  0.00  0.00    +0.129 A 
ATOM     28  C   LIG    1        2.915  -2.030   2.416  0.00  0.00    +0.046 A 
ATOM     29  C   LIG    1        3.029  -1.454   3.682  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1        3.658  -0.219   3.830  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        4.178   0.436   2.714  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1        4.066  -0.139   1.446  0.00  0.00    +0.046 A 
ENDBRANCH  26  27
ENDBRANCH  21  26
ENDBRANCH   2  20
TORSDOF 4