REMARK  Name = BDB052601
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.839   0.494  -1.642  0.00  0.00    +0.134 A 
ATOM      2  C   LIG    1       -0.554   0.598  -1.484  0.00  0.00    +0.088 A 
ATOM      3  C   LIG    1       -1.221   1.394  -2.401  0.00  0.00    +0.233 A 
ATOM      4  O   LIG    1       -2.549   1.426  -2.115  0.00  0.00    -0.436 OA
ATOM      5  C   LIG    1       -2.764   0.639  -1.017  0.00  0.00    +0.146 A 
ATOM      6  N   LIG    1       -0.694   2.065  -3.432  0.00  0.00    -0.200 NA
ATOM      7  C   LIG    1        0.627   1.881  -3.504  0.00  0.00    +0.227 A 
ATOM      8  C   LIG    1       -1.556   0.106  -0.588  0.00  0.00    +0.041 A 
ATOM      9  N   LIG    1        1.405   1.153  -2.682  0.00  0.00    -0.220 NA
ENDROOT
BRANCH   5  10
ATOM     10  C   LIG    1       -4.163   0.552  -0.598  0.00  0.00    +0.018 A 
ATOM     11  C   LIG    1       -5.018   1.654  -0.751  0.00  0.00    +0.011 A 
ATOM     12  C   LIG    1       -6.355   1.587  -0.349  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -6.856   0.415   0.209  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1       -6.024  -0.691   0.361  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1       -4.687  -0.624  -0.043  0.00  0.00    +0.011 A 
ENDBRANCH   5  10
BRANCH   8  16
ATOM     16  C   LIG    1       -1.399  -0.752   0.570  0.00  0.00    -0.014 A 
ATOM     17  C   LIG    1       -1.688  -0.273   1.854  0.00  0.00    +0.008 A 
ATOM     18  C   LIG    1       -1.517  -1.100   2.965  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1       -1.054  -2.405   2.801  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1       -0.761  -2.886   1.526  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1       -0.933  -2.063   0.412  0.00  0.00    +0.008 A 
ENDBRANCH   8  16
BRANCH   1  22
ATOM     22  N   LIG    1        1.637  -0.263  -0.781  0.00  0.00    -0.326 N 
ATOM     23  H   LIG    1        1.208  -0.365   0.134  0.00  0.00    +0.148 HD
BRANCH  22  24
ATOM     24  C   LIG    1        3.055   0.079  -0.763  0.00  0.00    +0.131 C 
BRANCH  24  25
ATOM     25  C   LIG    1        3.811  -0.841   0.208  0.00  0.00    +0.178 C 
BRANCH  25  26
ATOM     26  O   LIG    1        5.223  -0.610   0.203  0.00  0.00    -0.376 OA
BRANCH  26  27
ATOM     27  C   LIG    1        5.609   0.535   0.974  0.00  0.00    +0.187 C 
BRANCH  27  28
ATOM     28  C   LIG    1        7.131   0.629   0.943  0.00  0.00    +0.184 C 
BRANCH  28  29
ATOM     29  O   LIG    1        7.574   0.795  -0.403  0.00  0.00    -0.393 OA
ATOM     30  H   LIG    1        7.116   0.097  -0.911  0.00  0.00    +0.209 HD
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH   1  22
TORSDOF 9