REMARK  Name = BDB025604
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.295   0.618   1.000  0.00  0.00    +0.164 C 
ATOM      2  N   LIG    1       -0.955   0.547   0.392  0.00  0.00    -0.286 N 
ATOM      3  C   LIG    1       -0.857  -0.078  -0.864  0.00  0.00    +0.241 C 
ATOM      4  O   LIG    1       -1.801  -0.082  -1.657  0.00  0.00    -0.273 OA
ATOM      5  C   LIG    1       -0.454   1.936   0.354  0.00  0.00    +0.140 C 
ATOM      6  C   LIG    1       -1.644   2.857   0.691  0.00  0.00    +0.134 C 
ATOM      7  C   LIG    1       -2.869   1.960   0.565  0.00  0.00    +0.065 C 
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1       -4.843  -1.827  -0.461  0.00  0.00    +0.128 C 
ATOM      9  N   LIG    1       -4.009  -0.676  -0.224  0.00  0.00    -0.317 N 
ATOM     10  H   LIG    1       -3.583  -0.252  -1.049  0.00  0.00    +0.148 HD
ATOM     11  C   LIG    1       -3.229  -0.606   0.911  0.00  0.00    +0.233 C 
ATOM     12  O   LIG    1       -3.215  -1.487   1.769  0.00  0.00    -0.274 OA
ENDBRANCH   1  11
BRANCH   6  13
ATOM     13  O   LIG    1       -1.551   3.371   2.019  0.00  0.00    -0.390 OA
ATOM     14  H   LIG    1       -1.278   2.663   2.626  0.00  0.00    +0.210 HD
ENDBRANCH   6  13
BRANCH   3  15
ATOM     15  C   LIG    1        0.434  -0.868  -1.145  0.00  0.00    +0.197 C 
BRANCH  15  16
ATOM     16  N   LIG    1        1.613  -0.052  -0.889  0.00  0.00    -0.239 N 
ATOM     17  N   LIG    1        2.107   0.730  -1.871  0.00  0.00    -0.064 NA
ATOM     18  N   LIG    1        3.161   1.372  -1.385  0.00  0.00    -0.126 NA
ATOM     19  C   LIG    1        3.326   0.985  -0.086  0.00  0.00    +0.149 A 
ATOM     20  C   LIG    1        2.348   0.083   0.255  0.00  0.00    +0.142 A 
BRANCH  19  21
ATOM     21  C   LIG    1        4.436   1.496   0.847  0.00  0.00    +0.176 A 
ATOM     22  O   LIG    1        4.619   1.133   2.156  0.00  0.00    -0.441 OA
ATOM     23  C   LIG    1        5.712   1.844   2.544  0.00  0.00    +0.308 A 
ATOM     24  N   LIG    1        6.236   2.617   1.621  0.00  0.00    -0.224 NA
ATOM     25  C   LIG    1        5.426   2.400   0.532  0.00  0.00    +0.162 A 
ENDBRANCH  19  21
ENDBRANCH  15  16
BRANCH  15  26
ATOM     26  C   LIG    1        0.446  -2.248  -0.429  0.00  0.00    +0.016 C 
ATOM     27  C   LIG    1        1.695  -3.068  -0.790  0.00  0.00    +0.010 C 
ATOM     28  C   LIG    1       -0.785  -3.086  -0.799  0.00  0.00    +0.010 C 
ENDBRANCH  15  26
ENDBRANCH   3  15
TORSDOF 6