REMARK  Name = BDB020596
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.639  -2.514   1.093  0.00  0.00    +0.043 A 
ATOM      2  C   LIG    1        0.372  -1.462   1.283  0.00  0.00    -0.016 A 
ATOM      3  C   LIG    1       -0.163  -0.058   1.410  0.00  0.00    +0.046 C 
ATOM      4  C   LIG    1        1.685  -1.826   1.363  0.00  0.00    +0.056 A 
ATOM      5  N   LIG    1        1.990  -3.215   1.340  0.00  0.00    -0.317 N 
ATOM      6  C   LIG    1        1.026  -4.215   1.206  0.00  0.00    +0.047 A 
ATOM      7  C   LIG    1        1.645  -5.447   1.228  0.00  0.00    +0.027 A 
ATOM      8  C   LIG    1        3.026  -5.218   1.390  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1        3.212  -3.855   1.461  0.00  0.00    +0.091 A 
ATOM     10  C   LIG    1       -0.329  -3.822   1.062  0.00  0.00    +0.039 A 
ENDROOT
BRANCH   1  13
ATOM     11  N   LIG    1       -2.297  -1.946  -0.511  0.00  0.00    -0.307 N 
ATOM     12  H   LIG    1       -1.513  -1.947  -1.155  0.00  0.00    +0.149 HD
ATOM     13  C   LIG    1       -2.066  -2.188   0.819  0.00  0.00    +0.245 C 
ATOM     14  O   LIG    1       -2.902  -2.115   1.710  0.00  0.00    -0.270 OA
BRANCH  11  15
ATOM     15  C   LIG    1       -3.514  -1.328  -0.983  0.00  0.00    +0.145 C 
BRANCH  15  22
ATOM     16  C   LIG    1       -2.423   4.315  -1.885  0.00  0.00    +0.063 C 
ATOM     17  C   LIG    1       -2.745   2.889  -1.561  0.00  0.00    +0.016 A 
ATOM     18  N   LIG    1       -2.184   1.923  -2.357  0.00  0.00    -0.326 N 
ATOM     19  H   LIG    1       -1.567   2.183  -3.117  0.00  0.00    +0.169 HD
ATOM     20  C   LIG    1       -2.391   0.576  -2.204  0.00  0.00    +0.254 A 
ATOM     21  O   LIG    1       -1.842  -0.241  -2.938  0.00  0.00    -0.268 OA
ATOM     22  C   LIG    1       -3.296   0.155  -1.082  0.00  0.00    +0.037 A 
ATOM     23  C   LIG    1       -3.831   1.112  -0.292  0.00  0.00    -0.039 A 
ATOM     24  C   LIG    1       -4.726   0.866   0.891  0.00  0.00    +0.044 C 
ATOM     25  C   LIG    1       -3.544   2.517  -0.550  0.00  0.00    +0.024 A 
ENDBRANCH  15  22
ENDBRANCH  11  15
ENDBRANCH   1  13
BRANCH   4  26
ATOM     26  C   LIG    1        2.857  -0.855   1.460  0.00  0.00    +0.163 C 
ATOM     27  C   LIG    1        3.138  -0.490   2.918  0.00  0.00    +0.044 C 
BRANCH  26  28
ATOM     28  O   LIG    1        2.628   0.368   0.746  0.00  0.00    -0.365 OA
BRANCH  28  29
ATOM     29  C   LIG    1        2.775   0.225  -0.673  0.00  0.00    +0.216 C 
BRANCH  29  30
ATOM     30  C   LIG    1        2.731   1.576  -1.355  0.00  0.00    +0.067 A 
ATOM     31  N   LIG    1        3.559   1.757  -2.417  0.00  0.00    -0.258 NA
ATOM     32  C   LIG    1        3.521   2.954  -3.042  0.00  0.00    +0.111 A 
ATOM     33  C   LIG    1        2.683   3.991  -2.671  0.00  0.00    +0.020 A 
ATOM     34  C   LIG    1        1.830   3.790  -1.593  0.00  0.00    +0.003 A 
ATOM     35  C   LIG    1        1.846   2.566  -0.930  0.00  0.00    +0.025 A 
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH  26  28
ENDBRANCH   4  26
TORSDOF 7