REMARK  Name = BDB031511
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.064   1.133  -0.193  0.00  0.00    +0.019 A 
ATOM      2  C   LIG    1       -4.410   1.077  -1.543  0.00  0.00    +0.252 A 
ATOM      3  O   LIG    1       -4.823   1.734  -2.493  0.00  0.00    -0.268 OA
ATOM      4  N   LIG    1       -3.320   0.255  -1.675  0.00  0.00    -0.321 N 
ATOM      5  H   LIG    1       -2.895   0.230  -2.591  0.00  0.00    +0.169 HD
ATOM      6  C   LIG    1       -2.817  -0.523  -0.627  0.00  0.00    +0.068 A 
ATOM      7  C   LIG    1       -3.429  -0.485   0.623  0.00  0.00    +0.088 A 
ATOM      8  N   LIG    1       -3.012  -1.207   1.684  0.00  0.00    -0.253 NA
ATOM      9  C   LIG    1       -1.933  -1.999   1.482  0.00  0.00    +0.116 A 
ATOM     10  C   LIG    1       -1.236  -2.098   0.277  0.00  0.00    -0.013 A 
ATOM     11  C   LIG    1       -1.709  -1.343  -0.805  0.00  0.00    +0.034 A 
ATOM     12  C   LIG    1       -4.590   0.377   0.813  0.00  0.00    +0.038 A 
ENDROOT
BRANCH   1  14
ATOM     13  C   LIG    1       -5.885   3.491   0.093  0.00  0.00    +0.009 C 
ATOM     14  C   LIG    1       -6.267   2.024  -0.048  0.00  0.00    +0.037 C 
ENDBRANCH   1  14
BRANCH  10  15
ATOM     15  C   LIG    1       -0.045  -3.015   0.140  0.00  0.00    +0.121 C 
BRANCH  15  16
ATOM     16  N   LIG    1        1.300  -2.507   0.410  0.00  0.00    -0.291 NA
ATOM     17  C   LIG    1        1.490  -1.871   1.723  0.00  0.00    +0.130 C 
ATOM     18  C   LIG    1        2.384  -0.806   1.032  0.00  0.00    +0.201 C 
ATOM     19  C   LIG    1        1.667  -1.257  -0.271  0.00  0.00    +0.130 C 
BRANCH  18  20
ATOM     20  O   LIG    1        3.811  -1.031   1.133  0.00  0.00    -0.486 OA
BRANCH  20  21
ATOM     21  C   LIG    1        4.662  -0.248   0.394  0.00  0.00    +0.121 A 
ATOM     22  C   LIG    1        5.980  -0.705   0.329  0.00  0.00    +0.047 A 
ATOM     23  C   LIG    1        6.943   0.009  -0.389  0.00  0.00    +0.022 A 
ATOM     24  C   LIG    1        6.588   1.192  -1.044  0.00  0.00    +0.052 A 
ATOM     25  C   LIG    1        5.269   1.653  -0.972  0.00  0.00    +0.022 A 
ATOM     26  C   LIG    1        4.307   0.935  -0.252  0.00  0.00    +0.047 A 
BRANCH  24  27
ATOM     27  C   LIG    1        7.570   1.930  -1.782  0.00  0.00    +0.099 C 
ATOM     28  N   LIG    1        8.362   2.530  -2.382  0.00  0.00    -0.191 NA
ENDBRANCH  24  27
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH  15  16
ENDBRANCH  10  15
TORSDOF 6