REMARK  Name = BDB050442
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.497  -0.715  -0.445  0.00  0.00    -0.011 A 
ATOM      2  C   LIG    1       -0.133  -0.369  -0.411  0.00  0.00    +0.036 A 
ATOM      3  C   LIG    1        0.870  -1.315  -0.671  0.00  0.00    +0.079 A 
ATOM      4  N   LIG    1        2.252  -0.979  -0.682  0.00  0.00    -0.263 N 
ATOM      5  C   LIG    1        3.215  -1.979  -0.779  0.00  0.00    +0.263 C 
ATOM      6  C   LIG    1        2.675  -3.423  -0.697  0.00  0.00    +0.181 C 
ATOM      7  O   LIG    1        1.365  -3.641  -1.215  0.00  0.00    -0.475 OA
ATOM      8  C   LIG    1        3.601  -4.344  -1.504  0.00  0.00    +0.065 C 
ATOM      9  C   LIG    1        2.697  -3.864   0.776  0.00  0.00    +0.065 C 
ATOM     10  O   LIG    1        4.423  -1.738  -0.817  0.00  0.00    -0.271 OA
ATOM     11  C   LIG    1        0.482  -2.631  -0.951  0.00  0.00    +0.143 A 
ATOM     12  C   LIG    1       -0.867  -2.984  -1.013  0.00  0.00    +0.048 A 
ATOM     13  C   LIG    1       -1.852  -2.033  -0.759  0.00  0.00    +0.012 A 
ENDROOT
BRANCH   1  15
ATOM     14  C   LIG    1       -3.040   0.493   1.133  0.00  0.00    +0.054 A 
ATOM     15  C   LIG    1       -2.530   0.296  -0.161  0.00  0.00    +0.045 A 
ATOM     16  C   LIG    1       -3.041   1.117  -1.186  0.00  0.00    +0.133 A 
ATOM     17  C   LIG    1       -4.013   2.070  -0.888  0.00  0.00    +0.089 A 
ATOM     18  C   LIG    1       -4.455   2.194   0.420  0.00  0.00    +0.120 A 
ATOM     19  N   LIG    1       -3.984   1.428   1.412  0.00  0.00    -0.237 NA
BRANCH  18  20
ATOM     20  N   LIG    1       -5.431   3.140   0.746  0.00  0.00    -0.343 N 
ATOM     21  H   LIG    1       -5.110   4.070   0.500  0.00  0.00    +0.144 HD
ATOM     22  H   LIG    1       -6.284   2.947   0.230  0.00  0.00    +0.144 HD
ENDBRANCH  18  20
BRANCH  14  24
ATOM     23  C   LIG    1       -3.166   0.005   3.648  0.00  0.00    +0.010 C 
ATOM     24  C   LIG    1       -2.550  -0.346   2.298  0.00  0.00    +0.053 C 
ENDBRANCH  14  24
BRANCH  16  25
ATOM     25  O   LIG    1       -2.522   0.908  -2.441  0.00  0.00    -0.494 OA
ATOM     26  C   LIG    1       -3.011   1.711  -3.507  0.00  0.00    +0.277 C 
ENDBRANCH  16  25
ENDBRANCH   1  15
BRANCH   4  27
ATOM     27  C   LIG    1        2.700   0.414  -0.610  0.00  0.00    +0.132 C 
BRANCH  27  28
ATOM     28  C   LIG    1        2.993   0.846   0.835  0.00  0.00    +0.123 C 
BRANCH  28  29
ATOM     29  N   LIG    1        2.829   2.271   1.077  0.00  0.00    -0.314 N 
ATOM     30  H   LIG    1        2.410   2.545   1.957  0.00  0.00    +0.149 HD
ATOM     31  C   LIG    1        3.587   3.208   0.413  0.00  0.00    +0.210 C 
ATOM     32  O   LIG    1        4.352   2.938  -0.505  0.00  0.00    -0.276 OA
ATOM     33  C   LIG    1        3.400   4.617   0.910  0.00  0.00    +0.109 C 
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH   4  27
TORSDOF 7