REMARK  Name = BDB008650
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.745  -1.390   1.219  0.00  0.00    -0.261 N 
ATOM      2  C   LIG    1        1.591  -2.389   0.288  0.00  0.00    +0.069 A 
ATOM      3  C   LIG    1        0.272  -2.814   0.428  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1       -0.218  -3.813  -0.434  0.00  0.00    +0.012 A 
ATOM      5  C   LIG    1        0.637  -4.367  -1.393  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        1.957  -3.935  -1.503  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1       -0.263  -2.026   1.488  0.00  0.00    +0.091 A 
ATOM      8  C   LIG    1        2.461  -2.934  -0.667  0.00  0.00    +0.028 A 
ATOM      9  N   LIG    1        0.660  -1.193   1.992  0.00  0.00    -0.173 NA
ENDROOT
BRANCH   7  10
ATOM     10  C   LIG    1       -1.687  -2.025   2.014  0.00  0.00    +0.124 C 
ATOM     11  C   LIG    1       -1.742  -2.175   3.535  0.00  0.00    +0.035 C 
BRANCH  10  12
ATOM     12  N   LIG    1       -2.387  -0.835   1.463  0.00  0.00    -0.288 N 
ATOM     13  C   LIG    1       -2.846  -0.982   0.141  0.00  0.00    +0.246 C 
ATOM     14  O   LIG    1       -3.119  -2.097  -0.322  0.00  0.00    -0.273 OA
BRANCH  13  15
ATOM     15  C   LIG    1       -2.910   0.273  -0.755  0.00  0.00    +0.217 C 
ATOM     16  O   LIG    1       -3.901   0.090  -1.787  0.00  0.00    -0.365 OA
ATOM     17  C   LIG    1       -3.475   0.527  -3.079  0.00  0.00    +0.176 C 
ATOM     18  C   LIG    1       -2.644   1.814  -3.006  0.00  0.00    +0.109 C 
ATOM     19  N   LIG    1       -1.391   1.657  -2.247  0.00  0.00    -0.311 NA
ATOM     20  H   LIG    1       -0.623   1.472  -2.893  0.00  0.00    +0.122 HD
ATOM     21  C   LIG    1       -1.488   0.509  -1.317  0.00  0.00    +0.122 C 
ENDBRANCH  13  15
BRANCH  12  22
ATOM     22  C   LIG    1       -2.127   0.456   2.072  0.00  0.00    +0.077 C 
ATOM     23  C   LIG    1       -3.218   1.491   2.248  0.00  0.00    +0.024 C 
ATOM     24  C   LIG    1       -2.651   0.812   3.446  0.00  0.00    +0.024 C 
ENDBRANCH  12  22
ENDBRANCH  10  12
ENDBRANCH   7  10
BRANCH   1  25
ATOM     25  C   LIG    1        2.926  -0.568   1.428  0.00  0.00    +0.172 C 
BRANCH  25  26
ATOM     26  C   LIG    1        3.050   0.534   0.380  0.00  0.00    +0.183 C 
BRANCH  26  27
ATOM     27  O   LIG    1        2.119   1.583   0.659  0.00  0.00    -0.376 OA
BRANCH  27  28
ATOM     28  C   LIG    1        1.894   2.460  -0.451  0.00  0.00    +0.188 C 
BRANCH  28  29
ATOM     29  C   LIG    1        3.090   3.367  -0.746  0.00  0.00    +0.187 C 
BRANCH  29  31
ATOM     30  C   LIG    1        5.210   3.454  -1.776  0.00  0.00    +0.194 C 
ATOM     31  O   LIG    1        4.079   2.642  -1.488  0.00  0.00    -0.381 OA
ENDBRANCH  29  31
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH   1  25
TORSDOF 10