REMARK  Name = BDB057793
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.752  -0.556  -0.884  0.00  0.00    -0.046 A 
ATOM      2  C   LIG    1        0.976  -1.712  -0.969  0.00  0.00    +0.005 A 
ATOM      3  C   LIG    1       -0.386  -1.683  -0.635  0.00  0.00    +0.023 A 
ATOM      4  C   LIG    1       -1.020  -0.515  -0.184  0.00  0.00    +0.030 A 
ATOM      5  C   LIG    1       -0.220   0.638  -0.124  0.00  0.00    +0.023 A 
ATOM      6  C   LIG    1        1.141   0.624  -0.458  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   4   7
ATOM      7  N   LIG    1       -2.375  -0.467   0.138  0.00  0.00    -0.330 N 
ATOM      8  C   LIG    1       -2.804   0.308   1.303  0.00  0.00    +0.106 C 
ATOM      9  C   LIG    1       -4.139   0.990   0.998  0.00  0.00    +0.038 C 
ATOM     10  C   LIG    1       -5.030   0.187   0.021  0.00  0.00    +0.060 C 
ATOM     11  C   LIG    1       -4.712  -1.310   0.166  0.00  0.00    +0.038 C 
ATOM     12  C   LIG    1       -3.248  -1.599  -0.195  0.00  0.00    +0.106 C 
BRANCH  10  13
ATOM     13  N   LIG    1       -6.460   0.496   0.248  0.00  0.00    -0.299 NA
ATOM     14  C   LIG    1       -6.778   1.915   0.044  0.00  0.00    +0.085 C 
ATOM     15  C   LIG    1       -8.296   1.925  -0.008  0.00  0.00    +0.017 C 
ATOM     16  C   LIG    1       -8.677   0.559  -0.559  0.00  0.00    +0.017 C 
ATOM     17  C   LIG    1       -7.367  -0.211  -0.663  0.00  0.00    +0.085 C 
ENDBRANCH  10  13
ENDBRANCH   4   7
BRANCH   1  18
ATOM     18  C   LIG    1        3.222  -0.585  -1.224  0.00  0.00    +0.050 C 
BRANCH  18  19
ATOM     19  C   LIG    1        4.085  -0.855   0.017  0.00  0.00    +0.089 C 
BRANCH  19  22
ATOM     20  C   LIG    1        7.325  -0.055   0.312  0.00  0.00    +0.042 C 
ATOM     21  C   LIG    1        6.334  -1.108   0.886  0.00  0.00    +0.097 C 
ATOM     22  N   LIG    1        5.510  -0.927  -0.341  0.00  0.00    -0.301 NA
ATOM     23  C   LIG    1        6.090   0.436  -0.494  0.00  0.00    +0.097 C 
BRANCH  20  24
ATOM     24  C   LIG    1        7.914   0.927   1.321  0.00  0.00    +0.167 C 
BRANCH  24  25
ATOM     25  O   LIG    1        6.897   1.475   2.157  0.00  0.00    -0.394 OA
ATOM     26  H   LIG    1        7.335   2.105   2.757  0.00  0.00    +0.209 HD
ENDBRANCH  24  25
ENDBRANCH  20  24
BRANCH  20  27
ATOM     27  C   LIG    1        8.425  -0.701  -0.537  0.00  0.00    +0.167 C 
BRANCH  27  28
ATOM     28  O   LIG    1        9.138   0.299  -1.261  0.00  0.00    -0.394 OA
ATOM     29  H   LIG    1        8.609   0.508  -2.051  0.00  0.00    +0.209 HD
ENDBRANCH  27  28
ENDBRANCH  20  27
ENDBRANCH  19  22
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 9