REMARK  Name = BDB046333
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.401   0.533   0.176  0.00  0.00    +0.216 C 
ATOM      2  N   LIG    1        0.174   0.045  -0.271  0.00  0.00    -0.297 N 
ATOM      3  C   LIG    1       -1.006   0.820   0.113  0.00  0.00    +0.145 C 
ATOM      4  C   LIG    1       -2.307   0.089  -0.122  0.00  0.00    -0.003 A 
ATOM      5  C   LIG    1       -2.366  -1.123  -0.709  0.00  0.00    +0.026 A 
ATOM      6  N   LIG    1       -3.560  -1.778  -0.888  0.00  0.00    -0.325 N 
ATOM      7  H   LIG    1       -3.582  -2.693  -1.322  0.00  0.00    +0.169 HD
ATOM      8  C   LIG    1       -4.788  -1.294  -0.507  0.00  0.00    +0.257 A 
ATOM      9  C   LIG    1       -4.793   0.042   0.134  0.00  0.00    +0.047 A 
ATOM     10  C   LIG    1       -6.014   0.600   0.538  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1       -6.036   1.856   1.137  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -4.844   2.549   1.330  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -3.626   1.989   0.926  0.00  0.00    +0.009 A 
ATOM     14  O   LIG    1       -5.816  -1.934  -0.694  0.00  0.00    -0.267 OA
ATOM     15  C   LIG    1       -1.135  -1.824  -1.211  0.00  0.00    +0.072 C 
ATOM     16  C   LIG    1       -3.577   0.723   0.321  0.00  0.00    -0.006 A 
ATOM     17  C   LIG    1        0.025  -0.853  -1.414  0.00  0.00    +0.114 C 
ATOM     18  O   LIG    1        1.474   1.495   0.943  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   1  19
ATOM     19  C   LIG    1        2.649  -0.183  -0.313  0.00  0.00    +0.098 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.926   0.383   0.318  0.00  0.00    +0.039 C 
BRANCH  20  21
ATOM     21  CA  LIG    1        5.196  -0.293  -0.208  0.00  0.00    +0.161 C 
BRANCH  21  22
ATOM     22  N   LIG    1        5.182  -1.743   0.107  0.00  0.00    -0.318 NA
ATOM     23  H1  LIG    1        6.112  -2.106  -0.123  0.00  0.00    +0.119 HD
ATOM     24  H2  LIG    1        5.132  -1.846   1.123  0.00  0.00    +0.119 HD
ENDBRANCH  21  22
BRANCH  21  25
ATOM     25  C   LIG    1        6.444   0.390   0.374  0.00  0.00    +0.322 C 
ATOM     26  O   LIG    1        6.641   1.590   0.469  0.00  0.00    -0.249 OA
BRANCH  25  27
ATOM     27  OXT LIG    1        7.400  -0.482   0.769  0.00  0.00    -0.480 OA
ATOM     28  HXT LIG    1        8.120   0.099   1.095  0.00  0.00    +0.295 HD
ENDBRANCH  25  27
ENDBRANCH  21  25
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH   1  19
TORSDOF 6