REMARK  Name = BDB008955
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.288  -1.843   0.523  0.00  0.00    +0.126 A 
ATOM      2  N   LIG    1        1.427  -1.218  -0.323  0.00  0.00    -0.247 NA
ATOM      3  C   LIG    1        0.265  -1.849  -0.624  0.00  0.00    +0.048 A 
ATOM      4  C   LIG    1       -0.061  -3.101  -0.107  0.00  0.00    +0.024 A 
ATOM      5  C   LIG    1        0.828  -3.724   0.762  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1        2.019  -3.086   1.088  0.00  0.00    +0.033 A 
ENDROOT
BRANCH   1   8
ATOM      7  O   LIG    1        4.221  -1.558   1.860  0.00  0.00    -0.269 OA
ATOM      8  C   LIG    1        3.568  -1.155   0.895  0.00  0.00    +0.263 C 
ATOM      9  N   LIG    1        4.052  -0.078   0.178  0.00  0.00    -0.307 N 
ATOM     10  H   LIG    1        4.941   0.258   0.530  0.00  0.00    +0.149 HD
BRANCH   9  11
ATOM     11  C   LIG    1        3.583   0.445  -1.061  0.00  0.00    +0.073 C 
ATOM     12  C   LIG    1        4.124   1.753  -1.577  0.00  0.00    +0.024 C 
ATOM     13  C   LIG    1        2.706   1.665  -1.102  0.00  0.00    +0.024 C 
ENDBRANCH   9  11
ENDBRANCH   1   8
BRANCH   3  14
ATOM     14  C   LIG    1       -0.679  -1.132  -1.552  0.00  0.00    +0.112 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -1.991  -0.772  -0.870  0.00  0.00    +0.071 A 
ATOM     16  C   LIG    1       -2.052   0.401   0.059  0.00  0.00    -0.016 A 
ATOM     17  C   LIG    1       -0.849   1.273   0.286  0.00  0.00    +0.037 C 
ATOM     18  C   LIG    1       -1.179   2.594   0.989  0.00  0.00    +0.005 C 
ATOM     19  C   LIG    1       -2.144   2.372   2.147  0.00  0.00    +0.005 C 
ATOM     20  C   LIG    1       -3.448   1.739   1.658  0.00  0.00    +0.041 C 
ATOM     21  C   LIG    1       -3.229   0.629   0.667  0.00  0.00    +0.023 A 
ATOM     22  C   LIG    1       -4.398  -0.238   0.377  0.00  0.00    +0.268 A 
ATOM     23  O   LIG    1       -5.491  -0.049   0.900  0.00  0.00    -0.266 OA
ATOM     24  N   LIG    1       -4.182  -1.256  -0.512  0.00  0.00    -0.243 N 
ATOM     25  H   LIG    1       -4.970  -1.859  -0.723  0.00  0.00    +0.192 HD
ATOM     26  N   LIG    1       -3.006  -1.544  -1.129  0.00  0.00    -0.175 NA
ENDBRANCH  14  15
ENDBRANCH   3  14
TORSDOF 4