REMARK  Name = BDB064033
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.076  -0.486  -0.143  0.00  0.00    +0.188 C 
ATOM      2  N   LIG    1       -1.319  -1.548  -0.943  0.00  0.00    -0.253 N 
ATOM      3  H   LIG    1       -2.219  -1.916  -1.223  0.00  0.00    +0.158 HD
ATOM      4  C   LIG    1       -0.139  -2.107  -1.310  0.00  0.00    +0.269 C 
ATOM      5  O   LIG    1        0.067  -3.073  -2.015  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1        0.851  -1.229  -0.627  0.00  0.00    +0.130 C 
ATOM      7  C   LIG    1        2.170  -1.422  -0.749  0.00  0.00    +0.041 C 
ATOM      8  N   LIG    1        0.184  -0.250   0.079  0.00  0.00    -0.213 NA
ENDROOT
BRANCH   7   9
ATOM      9  C   LIG    1        3.235  -0.613  -0.135  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1        4.424  -0.425  -0.859  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1        5.466   0.319  -0.276  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        5.358   0.864   1.006  0.00  0.00    +0.078 A 
ATOM     13  N   LIG    1        6.465   1.571   1.448  0.00  0.00    -0.247 NA
ATOM     14  C   LIG    1        7.390   1.559   0.517  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1        4.168   0.653   1.728  0.00  0.00    +0.029 A 
ATOM     16  S   LIG    1        7.012   0.718  -0.925  0.00  0.00    -0.075 S 
ATOM     17  C   LIG    1        3.125  -0.085   1.154  0.00  0.00    +0.010 A 
ENDBRANCH   7   9
BRANCH   1  18
ATOM     18  N   LIG    1       -2.051   0.291   0.402  0.00  0.00    -0.303 N 
ATOM     19  H   LIG    1       -1.640   1.118   0.825  0.00  0.00    +0.150 HD
BRANCH  18  21
ATOM     20  C   LIG    1       -3.346   1.217  -1.470  0.00  0.00    +0.041 C 
ATOM     21  C   LIG    1       -3.402   0.497  -0.130  0.00  0.00    +0.109 C 
ATOM     22  C   LIG    1       -4.184  -0.827  -0.209  0.00  0.00    +0.236 C 
ATOM     23  O   LIG    1       -4.042  -1.708  -1.045  0.00  0.00    -0.273 OA
ATOM     24  N   LIG    1       -5.031  -0.906   0.879  0.00  0.00    -0.313 N 
ATOM     25  H   LIG    1       -5.495  -1.780   1.100  0.00  0.00    +0.149 HD
ATOM     26  C   LIG    1       -4.818   0.176   1.790  0.00  0.00    +0.107 C 
ATOM     27  C   LIG    1       -4.242   1.270   0.907  0.00  0.00    +0.053 C 
ENDBRANCH  18  21
ENDBRANCH   1  18
TORSDOF 3