REMARK  Name = BDB051042
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.374  -0.394  -1.535  0.00  0.00    +0.052 A 
ATOM      2  C   LIG    1        1.742  -0.345  -2.893  0.00  0.00    +0.033 A 
ATOM      3  C   LIG    1        0.892   0.311  -3.768  0.00  0.00    +0.137 A 
ATOM      4  O   LIG    1        1.393   0.281  -5.034  0.00  0.00    -0.463 OA
ATOM      5  C   LIG    1        2.567  -0.400  -4.978  0.00  0.00    +0.196 A 
ATOM      6  C   LIG    1       -0.298   0.925  -3.389  0.00  0.00    +0.070 A 
ATOM      7  C   LIG    1       -0.675   0.870  -2.033  0.00  0.00    +0.037 A 
ATOM      8  C   LIG    1        2.829  -0.802  -3.690  0.00  0.00    +0.050 A 
ATOM      9  C   LIG    1        0.141   0.173  -1.107  0.00  0.00    -0.017 A 
ATOM     10  C   LIG    1       -0.312  -0.012   0.324  0.00  0.00    +0.046 C 
ENDROOT
BRANCH   1  13
ATOM     11  N   LIG    1        2.756  -0.260   0.428  0.00  0.00    -0.307 N 
ATOM     12  H   LIG    1        2.426   0.695   0.510  0.00  0.00    +0.149 HD
ATOM     13  C   LIG    1        2.310  -1.056  -0.598  0.00  0.00    +0.245 C 
ATOM     14  O   LIG    1        2.657  -2.215  -0.782  0.00  0.00    -0.270 OA
BRANCH  11  15
ATOM     15  C   LIG    1        3.585  -0.755   1.503  0.00  0.00    +0.145 C 
BRANCH  15  17
ATOM     16  C   LIG    1        2.391  -2.193   3.239  0.00  0.00    -0.036 A 
ATOM     17  C   LIG    1        2.729  -0.994   2.712  0.00  0.00    +0.037 A 
ATOM     18  C   LIG    1        2.256   0.251   3.403  0.00  0.00    +0.254 A 
ATOM     19  O   LIG    1        2.502   1.373   2.966  0.00  0.00    -0.268 OA
ATOM     20  N   LIG    1        1.516   0.079   4.544  0.00  0.00    -0.326 N 
ATOM     21  H   LIG    1        1.208   0.932   4.995  0.00  0.00    +0.169 HD
ATOM     22  C   LIG    1        1.171  -1.141   5.069  0.00  0.00    +0.016 A 
ATOM     23  C   LIG    1        0.343  -1.138   6.317  0.00  0.00    +0.063 C 
ATOM     24  C   LIG    1        1.581  -2.256   4.449  0.00  0.00    +0.025 A 
BRANCH  16  26
ATOM     25  C   LIG    1        4.007  -4.123   3.305  0.00  0.00    +0.009 C 
ATOM     26  C   LIG    1        2.770  -3.531   2.643  0.00  0.00    +0.032 C 
ENDBRANCH  16  26
ENDBRANCH  15  17
ENDBRANCH  11  15
ENDBRANCH   1  13
BRANCH   7  27
ATOM     27  N   LIG    1       -1.848   1.514  -1.624  0.00  0.00    -0.327 N 
BRANCH  27  28
ATOM     28  C   LIG    1       -3.113   1.159  -2.297  0.00  0.00    +0.078 C 
ATOM     29  C   LIG    1       -4.147   0.697  -1.256  0.00  0.00    +0.050 C 
ATOM     30  C   LIG    1       -5.571   0.983  -1.713  0.00  0.00    +0.161 C 
ATOM     31  O   LIG    1       -5.675   0.827  -3.123  0.00  0.00    -0.380 OA
ATOM     32  C   LIG    1       -4.962   1.830  -3.848  0.00  0.00    +0.161 C 
ATOM     33  C   LIG    1       -3.679   2.287  -3.156  0.00  0.00    +0.050 C 
ENDBRANCH  27  28
BRANCH  27  34
ATOM     34  C   LIG    1       -1.716   2.754  -0.846  0.00  0.00    +0.102 C 
ATOM     35  C   LIG    1       -1.024   3.869  -1.619  0.00  0.00    +0.024 C 
ENDBRANCH  27  34
ENDBRANCH   7  27
TORSDOF 7