REMARK  Name = BDB057593
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.088   0.280  -1.554  0.00  0.00    +0.146 A 
ATOM      2  C   LIG    1       -0.215  -0.001  -1.915  0.00  0.00    +0.100 A 
ATOM      3  C   LIG    1       -0.389   0.715  -3.140  0.00  0.00    +0.074 A 
ATOM      4  C   LIG    1       -1.611   0.878  -3.970  0.00  0.00    +0.068 C 
ATOM      5  N   LIG    1        0.739   1.322  -3.536  0.00  0.00    -0.177 NA
ATOM      6  N   LIG    1        1.611   1.045  -2.551  0.00  0.00    -0.262 N 
ATOM      7  H   LIG    1        2.557   1.405  -2.593  0.00  0.00    +0.190 HD
ENDROOT
BRANCH   2   8
ATOM      8  C   LIG    1       -1.117  -0.824  -1.128  0.00  0.00    +0.249 C 
ATOM      9  N   LIG    1       -2.166  -1.387  -1.827  0.00  0.00    -0.311 N 
ATOM     10  H   LIG    1       -2.088  -1.411  -2.833  0.00  0.00    +0.149 HD
ATOM     11  O   LIG    1       -0.924  -1.042   0.067  0.00  0.00    -0.270 OA
BRANCH   9  12
ATOM     12  C   LIG    1       -3.062  -2.343  -1.208  0.00  0.00    +0.105 C 
BRANCH  12  13
ATOM     13  C   LIG    1       -4.064  -1.710  -0.243  0.00  0.00    +0.023 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -4.995  -0.711  -0.936  0.00  0.00    +0.036 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -6.101  -0.257  -0.016  0.00  0.00    -0.047 A 
ATOM     16  C   LIG    1       -5.851   0.687   0.990  0.00  0.00    +0.003 A 
ATOM     17  C   LIG    1       -6.871   1.080   1.859  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1       -8.147   0.535   1.732  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1       -8.406  -0.404   0.736  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1       -7.388  -0.799  -0.134  0.00  0.00    +0.003 A 
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH   9  12
ENDBRANCH   2   8
BRANCH   1  21
ATOM     21  N   LIG    1        1.824  -0.064  -0.474  0.00  0.00    -0.221 N 
ATOM     22  H   LIG    1        1.344  -0.579   0.275  0.00  0.00    +0.176 HD
BRANCH  21  24
ATOM     23  C   LIG    1        3.647   0.009   0.817  0.00  0.00    +0.138 C 
ATOM     24  N   LIG    1        3.130   0.287  -0.339  0.00  0.00    -0.189 NA
BRANCH  23  28
ATOM     25  C   LIG    1        7.727   0.842   1.796  0.00  0.00    +0.120 A 
ATOM     26  C   LIG    1        6.863   0.299   2.751  0.00  0.00    +0.046 A 
ATOM     27  C   LIG    1        5.529   0.030   2.423  0.00  0.00    +0.013 A 
ATOM     28  C   LIG    1        5.057   0.307   1.137  0.00  0.00    -0.005 A 
ATOM     29  C   LIG    1        5.915   0.850   0.178  0.00  0.00    +0.013 A 
ATOM     30  C   LIG    1        7.245   1.113   0.512  0.00  0.00    +0.046 A 
BRANCH  25  32
ATOM     31  C   LIG    1        9.586   0.890   3.279  0.00  0.00    +0.277 C 
ATOM     32  O   LIG    1        9.046   1.150   1.988  0.00  0.00    -0.495 OA
ENDBRANCH  25  32
ENDBRANCH  23  28
ENDBRANCH  21  24
ENDBRANCH   1  21
TORSDOF 9