REMARK  Name = BDB013754
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.783  -1.816  -0.861  0.00  0.00    +0.090 C 
ATOM      2  C   LIG    1       -1.689  -2.896  -1.456  0.00  0.00    +0.030 C 
ENDROOT
BRANCH   1   3
ATOM      3  N   LIG    1       -1.436  -0.504  -0.919  0.00  0.00    -0.322 N 
ATOM      4  H   LIG    1       -0.795   0.257  -1.158  0.00  0.00    +0.148 HD
BRANCH   3   5
ATOM      5  C   LIG    1       -2.344  -0.088   0.042  0.00  0.00    +0.166 A 
ATOM      6  C   LIG    1       -2.414   1.375   0.294  0.00  0.00    +0.117 A 
ATOM      7  C   LIG    1       -3.308   1.845   1.225  0.00  0.00    +0.070 A 
ATOM      8  C   LIG    1       -3.343   3.219   1.463  0.00  0.00    +0.017 A 
ATOM      9  C   LIG    1       -2.470   4.051   0.761  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1       -1.596   3.479  -0.154  0.00  0.00    +0.111 A 
ATOM     11  C   LIG    1       -4.167   0.895   1.933  0.00  0.00    +0.276 A 
ATOM     12  O   LIG    1       -4.990   1.326   2.737  0.00  0.00    -0.266 OA
ATOM     13  N   LIG    1       -3.974  -0.453   1.642  0.00  0.00    -0.230 N 
ATOM     14  C   LIG    1       -4.799  -1.460   2.283  0.00  0.00    +0.176 C 
ATOM     15  N   LIG    1       -1.544   2.155  -0.413  0.00  0.00    -0.251 NA
ATOM     16  N   LIG    1       -3.090  -0.928   0.701  0.00  0.00    -0.151 NA
ENDBRANCH   3   5
ENDBRANCH   1   3
BRANCH   1  17
ATOM     17  C   LIG    1        0.662  -1.796  -1.515  0.00  0.00    +0.106 C 
BRANCH  17  21
ATOM     18  C   LIG    1        3.244   0.820   0.863  0.00  0.00    +0.037 A 
ATOM     19  C   LIG    1        2.752  -0.376   1.394  0.00  0.00    +0.013 A 
ATOM     20  C   LIG    1        1.944  -1.209   0.612  0.00  0.00    +0.006 A 
ATOM     21  C   LIG    1        1.598  -0.863  -0.710  0.00  0.00    -0.028 A 
ATOM     22  C   LIG    1        2.107   0.341  -1.225  0.00  0.00    +0.006 A 
ATOM     23  C   LIG    1        2.913   1.177  -0.446  0.00  0.00    +0.013 A 
BRANCH  18  27
ATOM     24  C   LIG    1        5.838   1.957   3.367  0.00  0.00    +0.128 C 
ATOM     25  N   LIG    1        4.886   1.164   2.631  0.00  0.00    -0.314 N 
ATOM     26  H   LIG    1        5.036   0.165   2.594  0.00  0.00    +0.149 HD
ATOM     27  C   LIG    1        4.097   1.746   1.658  0.00  0.00    +0.244 C 
ATOM     28  O   LIG    1        4.097   2.947   1.415  0.00  0.00    -0.270 OA
ENDBRANCH  18  27
ENDBRANCH  17  21
BRANCH  17  29
ATOM     29  N   LIG    1        0.827  -1.610  -2.984  0.00  0.00    -0.300 NA
ATOM     30  C   LIG    1       -0.117  -0.712  -3.642  0.00  0.00    +0.105 C 
ATOM     31  C   LIG    1        0.912  -2.878  -3.705  0.00  0.00    +0.105 C 
ENDBRANCH  17  29
ENDBRANCH   1  17
TORSDOF 6