REMARK  Name = BDB041270
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.311  -0.469  -0.988  0.00  0.00    -0.291 NA
ATOM      2  C   LIG    1        1.064  -0.815  -1.425  0.00  0.00    +0.130 C 
ATOM      3  C   LIG    1        1.571  -0.348  -0.037  0.00  0.00    +0.201 C 
ATOM      4  C   LIG    1        0.124  -0.662   0.420  0.00  0.00    +0.130 C 
ENDROOT
BRANCH   1   5
ATOM      5  C   LIG    1       -1.259  -1.513  -1.397  0.00  0.00    +0.121 C 
BRANCH   5  15
ATOM      6  C   LIG    1       -7.207   0.448   0.402  0.00  0.00    +0.019 A 
ATOM      7  C   LIG    1       -6.583   1.536  -0.422  0.00  0.00    +0.252 A 
ATOM      8  O   LIG    1       -7.174   2.582  -0.669  0.00  0.00    -0.268 OA
ATOM      9  N   LIG    1       -5.315   1.312  -0.893  0.00  0.00    -0.321 N 
ATOM     10  H   LIG    1       -4.906   2.056  -1.442  0.00  0.00    +0.169 HD
ATOM     11  C   LIG    1       -4.604   0.132  -0.650  0.00  0.00    +0.068 A 
ATOM     12  C   LIG    1       -5.184  -0.886   0.104  0.00  0.00    +0.088 A 
ATOM     13  N   LIG    1       -4.571  -2.055   0.385  0.00  0.00    -0.253 NA
ATOM     14  C   LIG    1       -3.320  -2.208  -0.111  0.00  0.00    +0.116 A 
ATOM     15  C   LIG    1       -2.649  -1.252  -0.873  0.00  0.00    -0.013 A 
ATOM     16  C   LIG    1       -3.322  -0.053  -1.149  0.00  0.00    +0.034 A 
ATOM     17  C   LIG    1       -6.532  -0.694   0.627  0.00  0.00    +0.038 A 
BRANCH   6  19
ATOM     18  C   LIG    1       -8.627   1.599   2.126  0.00  0.00    +0.009 C 
ATOM     19  C   LIG    1       -8.602   0.684   0.910  0.00  0.00    +0.037 C 
ENDBRANCH   6  19
ENDBRANCH   5  15
ENDBRANCH   1   5
BRANCH   3  20
ATOM     20  O   LIG    1        2.607  -1.140   0.596  0.00  0.00    -0.484 OA
BRANCH  20  21
ATOM     21  C   LIG    1        3.882  -0.775   0.253  0.00  0.00    +0.142 A 
ATOM     22  C   LIG    1        4.642   0.045   1.090  0.00  0.00    +0.081 A 
ATOM     23  C   LIG    1        4.078   0.563   2.380  0.00  0.00    +0.069 C 
ATOM     24  N   LIG    1        5.912   0.414   0.786  0.00  0.00    -0.244 NA
ATOM     25  C   LIG    1        6.436  -0.072  -0.378  0.00  0.00    +0.126 A 
ATOM     26  C   LIG    1        5.750  -0.913  -1.246  0.00  0.00    +0.036 A 
ATOM     27  C   LIG    1        4.448  -1.274  -0.917  0.00  0.00    +0.050 A 
BRANCH  25  28
ATOM     28  C   LIG    1        7.842   0.342  -0.695  0.00  0.00    +0.262 C 
ATOM     29  N   LIG    1        8.402   1.196   0.230  0.00  0.00    -0.313 N 
ATOM     30  H   LIG    1        7.846   1.373   1.063  0.00  0.00    +0.149 HD
ATOM     31  C   LIG    1        9.780   1.600   0.172  0.00  0.00    +0.128 C 
ATOM     32  O   LIG    1        8.420  -0.069  -1.695  0.00  0.00    -0.269 OA
ENDBRANCH  25  28
ENDBRANCH  20  21
ENDBRANCH   3  20
TORSDOF 6