REMARK  Name = BDB018743
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.775  -0.140  -0.874  0.00  0.00    -0.014 A 
ATOM      2  C   LIG    1        0.438  -0.558  -0.304  0.00  0.00    +0.014 A 
ATOM      3  C   LIG    1        1.665  -0.249  -0.906  0.00  0.00    -0.025 A 
ATOM      4  C   LIG    1        2.959  -0.768  -0.338  0.00  0.00    +0.054 C 
ATOM      5  C   LIG    1        4.147   0.140  -0.693  0.00  0.00    +0.069 C 
ATOM      6  C   LIG    1        4.142   1.442   0.121  0.00  0.00    +0.132 C 
ATOM      7  N   LIG    1        4.830   1.105   1.400  0.00  0.00    -0.268 N 
ATOM      8  C   LIG    1        5.583  -0.161   1.224  0.00  0.00    +0.117 C 
ATOM      9  C   LIG    1        4.122   0.494  -2.175  0.00  0.00    +0.225 C 
ATOM     10  N   LIG    1        2.895   0.769  -2.718  0.00  0.00    -0.285 N 
ATOM     11  H   LIG    1        2.901   1.128  -3.665  0.00  0.00    +0.155 HD
ATOM     12  O   LIG    1        5.137   0.631  -2.854  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1        5.481  -0.479  -0.262  0.00  0.00    +0.037 C 
ATOM     14  C   LIG    1        1.677   0.479  -2.097  0.00  0.00    +0.037 A 
ATOM     15  C   LIG    1        0.486   0.890  -2.689  0.00  0.00    +0.024 A 
ATOM     16  C   LIG    1       -0.732   0.588  -2.075  0.00  0.00    +0.010 A 
ENDROOT
BRANCH   1  18
ATOM     17  C   LIG    1       -2.534  -1.772  -0.071  0.00  0.00    +0.128 A 
ATOM     18  C   LIG    1       -2.064  -0.450  -0.227  0.00  0.00    +0.024 A 
ATOM     19  C   LIG    1       -2.857   0.612   0.256  0.00  0.00    +0.016 A 
ATOM     20  C   LIG    1       -4.092   0.390   0.884  0.00  0.00    -0.044 A 
ATOM     21  C   LIG    1       -4.532  -0.929   1.029  0.00  0.00    +0.007 A 
ATOM     22  C   LIG    1       -3.763  -1.998   0.558  0.00  0.00    +0.046 A 
BRANCH  20  23
ATOM     23  C   LIG    1       -4.941   1.535   1.406  0.00  0.00    +0.013 C 
ATOM     24  C   LIG    1       -5.373   2.475   0.279  0.00  0.00    +0.012 C 
ATOM     25  C   LIG    1       -4.222   2.307   2.516  0.00  0.00    +0.012 C 
ENDBRANCH  20  23
BRANCH  17  27
ATOM     26  C   LIG    1       -2.207  -4.103  -0.494  0.00  0.00    +0.277 C 
ATOM     27  O   LIG    1       -1.728  -2.767  -0.567  0.00  0.00    -0.495 OA
ENDBRANCH  17  27
ENDBRANCH   1  18
BRANCH   7  28
ATOM     28  C   LIG    1        5.012   1.962   2.411  0.00  0.00    +0.169 C 
ATOM     29  N   LIG    1        5.171   2.704   3.285  0.00  0.00    -0.174 NA
ENDBRANCH   7  28
TORSDOF 4