REMARK  Name = BDB006892
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.876   0.423  -0.121  0.00  0.00    +0.234 C 
ATOM      2  N   LIG    1        0.051  -0.027   0.819  0.00  0.00    -0.269 N 
ATOM      3  C   LIG    1        1.431   0.253   0.811  0.00  0.00    +0.043 A 
ATOM      4  C   LIG    1        2.051  -0.351   1.897  0.00  0.00    -0.001 A 
ATOM      5  C   LIG    1        3.407  -0.183   2.060  0.00  0.00    +0.117 A 
ATOM      6  N   LIG    1        4.156   0.544   1.205  0.00  0.00    -0.259 NA
ATOM      7  C   LIG    1        3.535   1.115   0.136  0.00  0.00    +0.043 A 
ATOM      8  C   LIG    1        1.084  -1.133   2.740  0.00  0.00    +0.009 C 
ATOM      9  C   LIG    1        1.401  -2.632   2.694  0.00  0.00    +0.017 C 
ATOM     10  C   LIG    1        1.059  -0.636   4.188  0.00  0.00    +0.017 C 
ATOM     11  C   LIG    1        2.164   1.004  -0.087  0.00  0.00    +0.047 A 
ATOM     12  C   LIG    1       -0.256  -0.827   2.020  0.00  0.00    +0.124 C 
ATOM     13  O   LIG    1       -0.573   1.118  -1.092  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   1  14
ATOM     14  C   LIG    1       -2.330  -0.043   0.142  0.00  0.00    +0.181 C 
BRANCH  14  16
ATOM     15  C   LIG    1       -4.698   0.474  -0.317  0.00  0.00    +0.097 C 
ATOM     16  N   LIG    1       -3.299   0.517  -0.820  0.00  0.00    -0.286 NA
ATOM     17  C   LIG    1       -3.165  -0.042  -2.179  0.00  0.00    +0.103 C 
ATOM     18  C   LIG    1       -4.187  -1.141  -2.585  0.00  0.00    +0.065 C 
ATOM     19  C   LIG    1       -3.842  -2.495  -1.956  0.00  0.00    +0.025 C 
ATOM     20  N   LIG    1       -5.600  -0.808  -2.303  0.00  0.00    -0.311 NA
ATOM     21  H   LIG    1       -6.044  -1.587  -1.818  0.00  0.00    +0.122 HD
ATOM     22  C   LIG    1       -5.723   0.405  -1.481  0.00  0.00    +0.102 C 
BRANCH  15  23
ATOM     23  C   LIG    1       -5.007   1.726   0.541  0.00  0.00    +0.179 C 
BRANCH  23  25
ATOM     24  C   LIG    1       -4.624   2.765   2.624  0.00  0.00    +0.194 C 
ATOM     25  O   LIG    1       -4.466   1.576   1.861  0.00  0.00    -0.381 OA
ENDBRANCH  23  25
ENDBRANCH  15  23
ENDBRANCH  14  16
ENDBRANCH   1  14
BRANCH   7  26
ATOM     26  C   LIG    1        4.382   1.951  -0.793  0.00  0.00    +0.056 C 
BRANCH  26  27
ATOM     27  C   LIG    1        5.729   1.331  -1.194  0.00  0.00    +0.009 C 
BRANCH  27  28
ATOM     28  C   LIG    1        5.660   0.288  -2.329  0.00  0.00    -0.017 C 
ATOM     29  C   LIG    1        7.080  -0.068  -2.781  0.00  0.00    +0.007 C 
ATOM     30  C   LIG    1        4.919  -0.990  -1.938  0.00  0.00    +0.007 C 
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH   7  26
TORSDOF 7