REMARK  Name = BDB023011
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.208   3.709   0.610  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1       -0.407   2.396   0.654  0.00  0.00    +0.079 C 
ATOM      3  N   LIG    1       -1.004   1.322  -0.164  0.00  0.00    -0.277 N 
ATOM      4  C   LIG    1       -2.368   1.033   0.044  0.00  0.00    +0.306 C 
ATOM      5  N   LIG    1       -2.936   0.244  -0.965  0.00  0.00    -0.276 N 
ATOM      6  C   LIG    1       -4.285  -0.293  -0.735  0.00  0.00    +0.121 C 
ATOM      7  C   LIG    1       -5.338   0.833  -0.971  0.00  0.00    +0.108 C 
ATOM      8  N   LIG    1       -5.074   1.683  -2.162  0.00  0.00    -0.312 NA
ATOM      9  H   LIG    1       -5.945   1.863  -2.658  0.00  0.00    +0.122 HD
ATOM     10  C   LIG    1       -4.074   1.088  -3.056  0.00  0.00    +0.100 C 
ATOM     11  C   LIG    1       -2.742   0.711  -2.350  0.00  0.00    +0.125 C 
ATOM     12  O   LIG    1       -2.981   1.416   1.036  0.00  0.00    -0.252 OA
ATOM     13  C   LIG    1       -0.196   0.100  -0.287  0.00  0.00    +0.165 C 
ATOM     14  C   LIG    1        1.297   0.295  -0.354  0.00  0.00    +0.067 A 
ATOM     15  C   LIG    1        1.857   1.525  -0.092  0.00  0.00    -0.005 A 
ATOM     16  C   LIG    1        3.229   1.573  -0.171  0.00  0.00    +0.120 A 
ATOM     17  N   LIG    1        3.999   0.506  -0.452  0.00  0.00    -0.223 NA
ATOM     18  C   LIG    1        3.376  -0.650  -0.679  0.00  0.00    +0.216 A 
ATOM     19  N   LIG    1        2.046  -0.796  -0.639  0.00  0.00    -0.218 NA
ATOM     20  C   LIG    1        1.020   2.731   0.167  0.00  0.00    +0.060 C 
ENDROOT
BRANCH   6  21
ATOM     21  C   LIG    1       -4.403  -1.155   0.514  0.00  0.00    -0.026 A 
ATOM     22  C   LIG    1       -3.672  -2.357   0.579  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1       -3.756  -3.192   1.695  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -4.568  -2.838   2.768  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -5.291  -1.648   2.726  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -5.209  -0.812   1.609  0.00  0.00    +0.005 A 
ENDBRANCH   6  21
BRANCH  18  27
ATOM     27  N   LIG    1        4.075  -1.790  -1.000  0.00  0.00    -0.310 N 
ATOM     28  H   LIG    1        3.391  -2.540  -0.968  0.00  0.00    +0.149 HD
BRANCH  27  29
ATOM     29  C   LIG    1        5.354  -2.127  -0.372  0.00  0.00    +0.077 C 
ATOM     30  C   LIG    1        5.265  -2.291   1.147  0.00  0.00    +0.050 C 
ATOM     31  C   LIG    1        5.781  -1.085   1.911  0.00  0.00    +0.161 C 
ATOM     32  O   LIG    1        7.074  -0.722   1.436  0.00  0.00    -0.380 OA
ATOM     33  C   LIG    1        7.007  -0.218   0.104  0.00  0.00    +0.161 C 
ATOM     34  C   LIG    1        6.534  -1.287  -0.869  0.00  0.00    +0.050 C 
ENDBRANCH  27  29
ENDBRANCH  18  27
TORSDOF 3