REMARK  Name = BDB039262
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.757  -4.121   0.451  0.00  0.00    +0.403 C 
ATOM      2  N   LIG    1        4.483  -2.773   0.599  0.00  0.00    -0.263 N 
ATOM      3  C   LIG    1        3.101  -2.351   0.407  0.00  0.00    +0.148 C 
ATOM      4  C   LIG    1        2.902  -0.858   0.318  0.00  0.00    +0.001 A 
ATOM      5  C   LIG    1        3.975   0.048   0.477  0.00  0.00    -0.039 A 
ATOM      6  C   LIG    1        3.764   1.429   0.374  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1        2.492   1.959   0.139  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1        1.430   1.057   0.000  0.00  0.00    +0.069 A 
ATOM      9  N   LIG    1        0.075   1.204  -0.234  0.00  0.00    -0.324 N 
ATOM     10  C   LIG    1       -0.490  -0.062  -0.261  0.00  0.00    +0.114 A 
ATOM     11  N   LIG    1        0.434  -0.982  -0.074  0.00  0.00    -0.232 NA
ATOM     12  C   LIG    1        5.370  -0.480   0.700  0.00  0.00    +0.054 C 
ATOM     13  C   LIG    1        1.620  -0.318   0.087  0.00  0.00    +0.094 A 
ATOM     14  C   LIG    1        5.354  -1.867   1.337  0.00  0.00    +0.116 C 
ATOM     15  O   LIG    1        3.950  -4.943   0.030  0.00  0.00    -0.226 OA
ENDROOT
BRANCH  10  16
ATOM     16  C   LIG    1       -1.951  -0.361  -0.478  0.00  0.00    +0.058 C 
ATOM     17  C   LIG    1       -2.293  -0.356  -1.971  0.00  0.00    +0.030 C 
ATOM     18  C   LIG    1       -3.769  -0.664  -2.192  0.00  0.00    +0.108 C 
ATOM     19  N   LIG    1       -4.194  -1.892  -1.524  0.00  0.00    -0.302 N 
ATOM     20  C   LIG    1       -5.296  -2.553  -2.068  0.00  0.00    +0.212 C 
ATOM     21  O   LIG    1       -5.832  -2.201  -3.119  0.00  0.00    -0.276 OA
ATOM     22  C   LIG    1       -5.819  -3.752  -1.319  0.00  0.00    +0.109 C 
ATOM     23  C   LIG    1       -3.808  -2.033  -0.120  0.00  0.00    +0.108 C 
ATOM     24  C   LIG    1       -2.334  -1.726   0.114  0.00  0.00    +0.030 C 
ENDBRANCH  10  16
BRANCH   1  26
ATOM     25  C   LIG    1        6.348  -5.825   0.674  0.00  0.00    +0.282 C 
ATOM     26  O   LIG    1        6.027  -4.442   0.823  0.00  0.00    -0.454 OA
ENDBRANCH   1  26
BRANCH   9  27
ATOM     27  C   LIG    1       -0.643   2.471  -0.410  0.00  0.00    +0.090 C 
ATOM     28  C   LIG    1       -0.164   3.230  -1.652  0.00  0.00    +0.031 C 
BRANCH  27  29
ATOM     29  C   LIG    1       -0.611   3.317   0.880  0.00  0.00    +0.061 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -1.676   4.381   0.913  0.00  0.00    -0.027 A 
ATOM     31  C   LIG    1       -2.991   4.070   1.250  0.00  0.00    +0.114 A 
ATOM     32  N   LIG    1       -4.000   4.966   1.273  0.00  0.00    -0.263 NA
ATOM     33  C   LIG    1       -3.689   6.240   0.955  0.00  0.00    +0.111 A 
ATOM     34  C   LIG    1       -2.414   6.657   0.611  0.00  0.00    +0.020 A 
ATOM     35  C   LIG    1       -1.393   5.711   0.589  0.00  0.00    +0.006 A 
ENDBRANCH  29  30
ENDBRANCH  27  29
ENDBRANCH   9  27
TORSDOF 5