REMARK  Name = BDB014212
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.010  -0.196  -0.024  0.00  0.00    +0.050 A 
ATOM      2  N   LIG    1        0.145   0.383   0.463  0.00  0.00    -0.354 N 
ATOM      3  H   LIG    1        0.175   1.077   1.204  0.00  0.00    +0.166 HD
ATOM      4  C   LIG    1        1.249  -0.121  -0.182  0.00  0.00    +0.079 A 
ATOM      5  C   LIG    1        0.788  -1.040  -1.115  0.00  0.00    +0.090 A 
ATOM      6  N   LIG    1        1.608  -1.735  -1.938  0.00  0.00    -0.253 NA
ATOM      7  C   LIG    1        2.923  -1.470  -1.791  0.00  0.00    +0.112 A 
ATOM      8  C   LIG    1        3.470  -0.571  -0.888  0.00  0.00    +0.037 A 
ATOM      9  C   LIG    1        2.615   0.139  -0.044  0.00  0.00    +0.086 A 
ATOM     10  C   LIG    1       -0.623  -1.082  -1.017  0.00  0.00    +0.053 A 
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1       -2.834   1.502  -0.118  0.00  0.00    +0.048 C 
ATOM     12  C   LIG    1       -2.356   0.193   0.508  0.00  0.00    +0.100 C 
ATOM     13  C   LIG    1       -3.407  -0.904   0.328  0.00  0.00    +0.048 C 
BRANCH  12  14
ATOM     14  O   LIG    1       -2.173   0.415   1.906  0.00  0.00    -0.383 OA
ATOM     15  H   LIG    1       -1.973  -0.450   2.305  0.00  0.00    +0.211 HD
ENDBRANCH  12  14
ENDBRANCH   1  12
BRANCH   9  16
ATOM     16  C   LIG    1        3.087   1.118   0.951  0.00  0.00    +0.339 C 
ATOM     17  O   LIG    1        2.377   1.754   1.709  0.00  0.00    -0.245 OA
BRANCH  16  18
ATOM     18  O   LIG    1        4.424   1.254   0.952  0.00  0.00    -0.477 OA
ATOM     19  H   LIG    1        4.597   1.924   1.647  0.00  0.00    +0.295 HD
ENDBRANCH  16  18
ENDBRANCH   9  16
TORSDOF 4