REMARK  Name = BDB047656
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.608   0.314   2.206  0.00  0.00    +0.038 A 
ATOM      2  C   LIG    1       -0.840   0.048   1.065  0.00  0.00    +0.023 A 
ATOM      3  C   LIG    1        0.548  -0.126   1.207  0.00  0.00    +0.008 A 
ATOM      4  C   LIG    1        1.109  -0.020   2.481  0.00  0.00    +0.048 A 
ATOM      5  N   LIG    1        2.465  -0.213   2.342  0.00  0.00    -0.354 N 
ATOM      6  H   LIG    1        3.128  -0.194   3.102  0.00  0.00    +0.166 HD
ATOM      7  C   LIG    1        2.796  -0.453   1.030  0.00  0.00    +0.051 A 
ATOM      8  C   LIG    1        4.034  -0.706   0.427  0.00  0.00    -0.020 A 
ATOM      9  C   LIG    1        5.416  -0.755   1.016  0.00  0.00    +0.038 C 
ATOM     10  C   LIG    1        6.186  -1.491  -0.090  0.00  0.00    +0.009 C 
ATOM     11  C   LIG    1        5.489  -1.149  -1.417  0.00  0.00    +0.036 C 
ATOM     12  C   LIG    1        4.086  -0.928  -0.957  0.00  0.00    -0.030 A 
ATOM     13  C   LIG    1        2.927  -0.887  -1.692  0.00  0.00    +0.045 A 
ATOM     14  C   LIG    1        2.714  -1.073  -3.132  0.00  0.00    +0.245 C 
ATOM     15  O   LIG    1        3.567  -1.308  -3.964  0.00  0.00    -0.270 OA
ATOM     16  N   LIG    1        1.362  -0.931  -3.354  0.00  0.00    -0.307 N 
ATOM     17  H   LIG    1        0.958  -1.065  -4.271  0.00  0.00    +0.149 HD
ATOM     18  C   LIG    1        0.609  -0.689  -2.147  0.00  0.00    +0.141 C 
ATOM     19  C   LIG    1        1.681  -0.643  -1.096  0.00  0.00    -0.008 A 
ATOM     20  C   LIG    1        0.345   0.232   3.631  0.00  0.00    +0.027 A 
ATOM     21  C   LIG    1        1.605  -0.413   0.291  0.00  0.00    +0.013 A 
ATOM     22  C   LIG    1       -1.036   0.389   3.474  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  25
ATOM     23  C   LIG    1       -2.690   2.829   1.246  0.00  0.00    +0.132 C 
ATOM     24  N   LIG    1       -3.544   1.686   1.545  0.00  0.00    -0.300 N 
ATOM     25  C   LIG    1       -3.063   0.473   2.039  0.00  0.00    +0.246 C 
ATOM     26  O   LIG    1       -3.774  -0.504   2.271  0.00  0.00    -0.270 OA
BRANCH  24  27
ATOM     27  C   LIG    1       -4.910   1.715   1.016  0.00  0.00    +0.114 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -4.992   1.594  -0.516  0.00  0.00    +0.073 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -4.262   0.433  -1.108  0.00  0.00    +0.037 A 
ATOM     30  N   LIG    1       -4.254  -0.833  -0.571  0.00  0.00    -0.348 N 
ATOM     31  H   LIG    1       -4.660  -1.116   0.314  0.00  0.00    +0.166 HD
ATOM     32  C   LIG    1       -3.448  -1.609  -1.357  0.00  0.00    +0.196 A 
ATOM     33  N   LIG    1       -2.954  -0.927  -2.365  0.00  0.00    -0.244 NA
ATOM     34  C   LIG    1       -3.472   0.335  -2.234  0.00  0.00    +0.133 A 
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH  24  27
ENDBRANCH   1  25
TORSDOF 4