REMARK  Name = BDB057587
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.114   3.432   0.256  0.00  0.00    +0.146 A 
ATOM      2  C   LIG    1       -0.072   2.867   0.688  0.00  0.00    +0.100 A 
ATOM      3  C   LIG    1       -0.634   3.868   1.540  0.00  0.00    +0.074 A 
ATOM      4  C   LIG    1       -1.851   3.800   2.389  0.00  0.00    +0.068 C 
ATOM      5  N   LIG    1        0.103   4.991   1.560  0.00  0.00    -0.177 NA
ATOM      6  N   LIG    1        1.161   4.687   0.786  0.00  0.00    -0.262 N 
ATOM      7  H   LIG    1        1.903   5.363   0.650  0.00  0.00    +0.190 HD
ENDROOT
BRANCH   2   8
ATOM      8  C   LIG    1       -0.506   1.514   0.365  0.00  0.00    +0.253 C 
ATOM      9  N   LIG    1       -1.879   1.359   0.340  0.00  0.00    -0.281 N 
ATOM     10  H   LIG    1       -2.429   2.203   0.402  0.00  0.00    +0.155 HD
ATOM     11  O   LIG    1        0.319   0.642   0.114  0.00  0.00    -0.270 OA
BRANCH   9  12
ATOM     12  C   LIG    1       -2.609   0.169   0.148  0.00  0.00    +0.034 A 
ATOM     13  C   LIG    1       -2.038  -1.093   0.018  0.00  0.00    +0.025 A 
ATOM     14  C   LIG    1       -2.846  -2.229  -0.161  0.00  0.00    +0.025 A 
ATOM     15  C   LIG    1       -4.246  -2.153  -0.195  0.00  0.00    +0.029 A 
ATOM     16  C   LIG    1       -4.797  -0.866  -0.074  0.00  0.00    +0.025 A 
ATOM     17  C   LIG    1       -3.999   0.274   0.099  0.00  0.00    +0.025 A 
BRANCH  15  18
ATOM     18  N   LIG    1       -5.069  -3.272  -0.385  0.00  0.00    -0.336 N 
ATOM     19  C   LIG    1       -6.281  -3.329   0.438  0.00  0.00    +0.129 C 
ATOM     20  C   LIG    1       -4.447  -4.569  -0.654  0.00  0.00    +0.129 C 
ENDBRANCH  15  18
ENDBRANCH   9  12
ENDBRANCH   2   8
BRANCH   1  21
ATOM     21  N   LIG    1        2.125   2.960  -0.507  0.00  0.00    -0.221 N 
ATOM     22  H   LIG    1        2.039   2.007  -0.880  0.00  0.00    +0.176 HD
BRANCH  21  24
ATOM     23  C   LIG    1        4.376   2.990  -0.920  0.00  0.00    +0.138 C 
ATOM     24  N   LIG    1        3.278   3.646  -0.673  0.00  0.00    -0.189 NA
BRANCH  23  28
ATOM     25  C   LIG    1        5.288  -1.195  -0.968  0.00  0.00    +0.120 A 
ATOM     26  C   LIG    1        5.938  -0.299  -1.821  0.00  0.00    +0.046 A 
ATOM     27  C   LIG    1        5.623   1.061  -1.804  0.00  0.00    +0.013 A 
ATOM     28  C   LIG    1        4.642   1.535  -0.927  0.00  0.00    -0.005 A 
ATOM     29  C   LIG    1        4.008   0.648  -0.050  0.00  0.00    +0.013 A 
ATOM     30  C   LIG    1        4.313  -0.718  -0.088  0.00  0.00    +0.046 A 
BRANCH  25  32
ATOM     31  C   LIG    1        5.000  -3.469  -0.329  0.00  0.00    +0.277 C 
ATOM     32  O   LIG    1        5.712  -2.492  -1.078  0.00  0.00    -0.495 OA
ENDBRANCH  25  32
ENDBRANCH  23  28
ENDBRANCH  21  24
ENDBRANCH   1  21
TORSDOF 7