REMARK  Name = BDB054399
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.350  -2.693  -0.771  0.00  0.00    +0.044 A 
ATOM      2  C   LIG    1        2.336  -1.700  -0.777  0.00  0.00    -0.006 A 
ATOM      3  C   LIG    1        1.078  -2.047  -1.333  0.00  0.00    -0.014 A 
ATOM      4  C   LIG    1        0.036  -1.106  -1.351  0.00  0.00    +0.054 A 
ATOM      5  C   LIG    1        0.222   0.171  -0.822  0.00  0.00    +0.131 A 
ATOM      6  C   LIG    1        1.458   0.546  -0.315  0.00  0.00    +0.047 A 
ATOM      7  C   LIG    1        0.880  -3.328  -1.877  0.00  0.00    +0.008 A 
ATOM      8  C   LIG    1        1.904  -4.273  -1.890  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1        2.503  -0.379  -0.290  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1        3.140  -3.957  -1.340  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1  13
ATOM     11  N   LIG    1        4.674  -2.168   1.177  0.00  0.00    -0.309 N 
ATOM     12  H   LIG    1        3.792  -1.964   1.635  0.00  0.00    +0.149 HD
ATOM     13  C   LIG    1        4.684  -2.472  -0.165  0.00  0.00    +0.245 C 
ATOM     14  O   LIG    1        5.698  -2.608  -0.837  0.00  0.00    -0.270 OA
BRANCH  11  15
ATOM     15  C   LIG    1        5.879  -1.759   1.874  0.00  0.00    +0.132 C 
BRANCH  15  16
ATOM     16  C   LIG    1        5.737  -1.945   3.382  0.00  0.00    +0.178 C 
BRANCH  16  18
ATOM     17  C   LIG    1        4.463  -1.275   5.252  0.00  0.00    +0.194 C 
ATOM     18  O   LIG    1        4.644  -1.143   3.848  0.00  0.00    -0.381 OA
ENDBRANCH  16  18
ENDBRANCH  15  16
ENDBRANCH  11  15
ENDBRANCH   1  13
BRANCH   5  19
ATOM     19  O   LIG    1       -0.765   1.125  -0.880  0.00  0.00    -0.437 OA
BRANCH  19  20
ATOM     20  C   LIG    1       -1.945   0.862  -0.184  0.00  0.00    +0.231 A 
ATOM     21  C   LIG    1       -3.074   1.599  -0.554  0.00  0.00    +0.066 A 
ATOM     22  C   LIG    1       -4.220   1.321   0.195  0.00  0.00    +0.082 A 
ATOM     23  C   LIG    1       -5.391   2.003  -0.108  0.00  0.00    +0.078 A 
ATOM     24  C   LIG    1       -5.452   2.956  -1.134  0.00  0.00    +0.164 A 
ATOM     25  C   LIG    1       -4.300   3.237  -1.887  0.00  0.00    +0.162 A 
ATOM     26  N   LIG    1       -4.230   0.424   1.190  0.00  0.00    -0.235 NA
ATOM     27  C   LIG    1       -3.079  -0.209   1.457  0.00  0.00    +0.225 A 
ATOM     28  C   LIG    1       -3.116   2.558  -1.595  0.00  0.00    +0.064 A 
ATOM     29  N   LIG    1       -1.921  -0.037   0.820  0.00  0.00    -0.201 NA
BRANCH  25  30
ATOM     30  O   LIG    1       -4.434   4.178  -2.875  0.00  0.00    -0.491 OA
ATOM     31  C   LIG    1       -3.287   4.496  -3.650  0.00  0.00    +0.277 C 
ENDBRANCH  25  30
BRANCH  24  32
ATOM     32  O   LIG    1       -6.581   3.658  -1.474  0.00  0.00    -0.491 OA
ATOM     33  C   LIG    1       -7.764   3.411  -0.728  0.00  0.00    +0.277 C 
ENDBRANCH  24  32
ENDBRANCH  19  20
ENDBRANCH   5  19
TORSDOF 8