REMARK  Name = BDB007939
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        2.175  -0.148   4.004  0.00  0.00    -0.274 OA
ATOM      2  C   LIG    1        1.009   0.125   3.731  0.00  0.00    +0.227 C 
ATOM      3  N   LIG    1        0.640   1.287   3.080  0.00  0.00    -0.307 N 
ATOM      4  H   LIG    1       -0.262   1.232   2.610  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        1.639   2.171   2.509  0.00  0.00    +0.178 C 
BRANCH   5   6
ATOM      6  C   LIG    1        2.024   1.609   1.149  0.00  0.00    +0.127 A 
ATOM      7  N   LIG    1        2.780   0.467   1.170  0.00  0.00    -0.309 N 
ATOM      8  H   LIG    1        3.006   0.030   2.060  0.00  0.00    +0.170 HD
ATOM      9  C   LIG    1        3.051  -0.244   0.040  0.00  0.00    +0.257 A 
ATOM     10  O   LIG    1        3.591  -1.344   0.059  0.00  0.00    -0.267 OA
ATOM     11  C   LIG    1        2.619   0.395  -1.214  0.00  0.00    +0.064 A 
ATOM     12  C   LIG    1        2.911  -0.299  -2.503  0.00  0.00    +0.202 C 
ATOM     13  O   LIG    1        2.127   0.231  -3.585  0.00  0.00    -0.375 OA
ATOM     14  C   LIG    1        2.185   1.660  -3.623  0.00  0.00    +0.166 C 
ATOM     15  C   LIG    1        1.508   2.251  -2.387  0.00  0.00    +0.084 C 
ATOM     16  C   LIG    1        1.952   1.556  -1.126  0.00  0.00    +0.056 A 
ATOM     17  N   LIG    1        1.614   2.171   0.056  0.00  0.00    -0.237 NA
ENDBRANCH   5   6
ENDBRANCH   3   5
BRANCH   2  18
ATOM     18  C   LIG    1       -0.170  -0.818   3.994  0.00  0.00    +0.180 C 
BRANCH  18  19
ATOM     19  N   LIG    1       -0.832  -1.103   2.707  0.00  0.00    -0.294 NA
ATOM     20  C   LIG    1       -2.211  -1.569   2.899  0.00  0.00    +0.085 C 
ATOM     21  C   LIG    1       -2.778  -2.296   1.668  0.00  0.00    +0.027 C 
ATOM     22  C   LIG    1       -2.124  -1.857   0.347  0.00  0.00    +0.063 C 
ATOM     23  C   LIG    1       -0.589  -1.934   0.443  0.00  0.00    +0.027 C 
ATOM     24  C   LIG    1       -0.071  -2.035   1.879  0.00  0.00    +0.085 C 
BRANCH  22  25
ATOM     25  C   LIG    1       -2.605  -0.460  -0.071  0.00  0.00    +0.166 C 
ATOM     26  O   LIG    1       -3.231   0.271   0.697  0.00  0.00    -0.292 OA
BRANCH  25  27
ATOM     27  C   LIG    1       -2.350   0.032  -1.466  0.00  0.00    +0.018 A 
ATOM     28  C   LIG    1       -1.707  -0.739  -2.443  0.00  0.00    +0.013 A 
ATOM     29  C   LIG    1       -1.496  -0.221  -3.727  0.00  0.00    +0.020 A 
ATOM     30  C   LIG    1       -1.939   1.062  -4.043  0.00  0.00    +0.041 A 
ATOM     31 CL   LIG    1       -1.668   1.698  -5.618  0.00  0.00    -0.084 Cl
ATOM     32  C   LIG    1       -2.589   1.835  -3.087  0.00  0.00    +0.020 A 
ATOM     33  C   LIG    1       -2.791   1.323  -1.802  0.00  0.00    +0.013 A 
ENDBRANCH  25  27
ENDBRANCH  22  25
ENDBRANCH  18  19
ENDBRANCH   2  18
TORSDOF 6