REMARK  Name = BDB031689
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.905   1.371   1.790  0.00  0.00    -0.041 A 
ATOM      2  C   LIG    1       -0.693   1.892   0.499  0.00  0.00    +0.031 A 
ATOM      3  C   LIG    1        0.477   1.541  -0.183  0.00  0.00    +0.068 A 
ATOM      4  C   LIG    1        1.455   0.716   0.355  0.00  0.00    +0.041 A 
ATOM      5  C   LIG    1        2.462   0.615  -0.659  0.00  0.00    +0.154 A 
ATOM      6  N   LIG    1        2.129   1.340  -1.731  0.00  0.00    -0.157 NA
ATOM      7  C   LIG    1        1.261   0.210   1.654  0.00  0.00    +0.014 A 
ATOM      8  N   LIG    1        0.939   1.869  -1.425  0.00  0.00    -0.275 N 
ATOM      9  H   LIG    1        0.489   2.457  -2.116  0.00  0.00    +0.189 HD
ATOM     10  C   LIG    1        0.089   0.550   2.349  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   1  15
ATOM     11  C   LIG    1       -3.794  -1.056  -0.965  0.00  0.00    +0.120 A 
ATOM     12  C   LIG    1       -3.234  -0.536   0.212  0.00  0.00    +0.052 A 
ATOM     13  C   LIG    1       -3.851   0.531   0.849  0.00  0.00    -0.007 A 
ATOM     14  C   LIG    1       -3.538   1.314   2.092  0.00  0.00    +0.081 C 
ATOM     15  C   LIG    1       -2.157   1.725   2.561  0.00  0.00    +0.040 C 
ATOM     16  C   LIG    1       -4.682   2.296   2.203  0.00  0.00    +0.228 C 
ATOM     17  N   LIG    1       -5.507   2.085   1.112  0.00  0.00    -0.284 N 
ATOM     18  H   LIG    1       -6.350   2.614   0.957  0.00  0.00    +0.155 HD
ATOM     19  O   LIG    1       -4.827   3.115   3.095  0.00  0.00    -0.274 OA
ATOM     20  C   LIG    1       -2.941   0.663   3.305  0.00  0.00    +0.031 C 
ATOM     21  C   LIG    1       -5.036   1.046   0.305  0.00  0.00    +0.038 A 
ATOM     22  C   LIG    1       -5.618   0.559  -0.845  0.00  0.00    +0.027 A 
ATOM     23  C   LIG    1       -4.980  -0.507  -1.487  0.00  0.00    +0.047 A 
BRANCH  11  25
ATOM     24  C   LIG    1       -3.565  -2.627  -2.739  0.00  0.00    +0.277 C 
ATOM     25  O   LIG    1       -3.095  -2.101  -1.505  0.00  0.00    -0.495 OA
ENDBRANCH  11  25
ENDBRANCH   1  15
BRANCH   5  26
ATOM     26  N   LIG    1        3.584  -0.116  -0.471  0.00  0.00    -0.280 N 
ATOM     27  H   LIG    1        3.688  -0.641   0.388  0.00  0.00    +0.155 HD
BRANCH  26  28
ATOM     28  C   LIG    1        4.591  -0.504  -1.390  0.00  0.00    +0.169 A 
ATOM     29  C   LIG    1        5.723  -1.145  -0.871  0.00  0.00    +0.178 A 
ATOM     30  C   LIG    1        6.699  -1.480  -1.790  0.00  0.00    +0.161 A 
ATOM     31  N   LIG    1        6.613  -1.220  -3.109  0.00  0.00    -0.240 NA
ATOM     32  C   LIG    1        5.491  -0.599  -3.498  0.00  0.00    +0.223 A 
ATOM     33  N   LIG    1        4.479  -0.233  -2.705  0.00  0.00    -0.217 NA
BRANCH  29  34
ATOM     34  O   LIG    1        5.747  -1.393   0.476  0.00  0.00    -0.490 OA
ATOM     35  C   LIG    1        6.946  -1.956   0.997  0.00  0.00    +0.277 C 
ENDBRANCH  29  34
ENDBRANCH  26  28
ENDBRANCH   5  26
TORSDOF 5