REMARK  Name = BDB051967
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.105  -2.550  -0.059  0.00  0.00    +0.055 A 
ATOM      2  C   LIG    1        1.321  -2.088  -0.631  0.00  0.00    +0.049 A 
ATOM      3  C   LIG    1        2.438  -2.928  -0.589  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1        2.365  -4.181   0.028  0.00  0.00    +0.017 A 
ATOM      5  C   LIG    1        1.166  -4.622   0.598  0.00  0.00    +0.061 A 
ATOM      6  C   LIG    1        0.032  -3.804   0.552  0.00  0.00    +0.040 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -2.292  -1.852   0.231  0.00  0.00    +0.250 C 
ATOM      8  N   LIG    1       -0.977  -1.644  -0.116  0.00  0.00    -0.280 N 
ATOM      9  H   LIG    1       -0.720  -0.744  -0.508  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1       -2.787  -2.927   0.547  0.00  0.00    -0.270 OA
BRANCH   7  19
ATOM     11  C   LIG    1       -6.788   2.276  -0.658  0.00  0.00    +0.113 C 
ATOM     12  C   LIG    1       -6.286   0.874  -0.717  0.00  0.00    +0.229 C 
ATOM     13  N   LIG    1       -4.952   0.627  -0.313  0.00  0.00    -0.287 N 
ATOM     14  C   LIG    1       -3.938   1.498   0.118  0.00  0.00    +0.057 A 
ATOM     15  C   LIG    1       -2.806   0.715   0.420  0.00  0.00    +0.012 A 
ATOM     16  C   LIG    1       -1.653   1.348   0.943  0.00  0.00    +0.011 A 
ATOM     17  C   LIG    1       -1.618   2.731   1.114  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1       -2.721   3.496   0.780  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1       -3.116  -0.647   0.123  0.00  0.00    +0.063 A 
ATOM     20  C   LIG    1       -3.886   2.900   0.287  0.00  0.00    +0.027 A 
ATOM     21  C   LIG    1       -4.429  -0.657  -0.289  0.00  0.00    +0.108 A 
ATOM     22  O   LIG    1       -6.978  -0.065  -1.101  0.00  0.00    -0.273 OA
ENDBRANCH   7  19
ENDBRANCH   1   8
BRANCH   2  23
ATOM     23  N   LIG    1        1.292  -0.851  -1.322  0.00  0.00    -0.342 N 
ATOM     24  H   LIG    1        0.783  -1.021  -2.194  0.00  0.00    +0.146 HD
BRANCH  23  25
ATOM     25  C   LIG    1        2.545  -0.149  -1.622  0.00  0.00    +0.105 C 
BRANCH  25  26
ATOM     26  C   LIG    1        3.178   0.472  -0.362  0.00  0.00    +0.006 C 
ATOM     27  C   LIG    1        2.311   1.607   0.227  0.00  0.00    +0.005 C 
ATOM     28  C   LIG    1        2.808   2.992  -0.169  0.00  0.00    +0.000 C 
ATOM     29  C   LIG    1        4.242   3.239   0.302  0.00  0.00    +0.000 C 
ATOM     30  C   LIG    1        5.101   1.974   0.325  0.00  0.00    +0.000 C 
ATOM     31  C   LIG    1        4.611   0.942  -0.683  0.00  0.00    +0.005 C 
ENDBRANCH  25  26
ENDBRANCH  23  25
ENDBRANCH   2  23
BRANCH   5  32
ATOM     32  C   LIG    1        1.151  -5.960   1.238  0.00  0.00    +0.337 C 
ATOM     33  O   LIG    1        2.091  -6.732   1.289  0.00  0.00    -0.245 OA
BRANCH  32  34
ATOM     34  O   LIG    1       -0.036  -6.267   1.786  0.00  0.00    -0.477 OA
ATOM     35  H   LIG    1        0.091  -7.162   2.162  0.00  0.00    +0.295 HD
ENDBRANCH  32  34
ENDBRANCH   5  32
TORSDOF 7