REMARK  Name = BDB039151
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.056  -3.137  -0.099  0.00  0.00    +0.403 C 
ATOM      2  N   LIG    1        4.612  -1.853  -0.359  0.00  0.00    -0.263 N 
ATOM      3  C   LIG    1        3.170  -1.643  -0.402  0.00  0.00    +0.148 C 
ATOM      4  C   LIG    1        2.745  -0.196  -0.390  0.00  0.00    +0.001 A 
ATOM      5  C   LIG    1        3.685   0.860  -0.428  0.00  0.00    -0.039 A 
ATOM      6  C   LIG    1        3.263   2.196  -0.401  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1        1.907   2.536  -0.361  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1        0.984   1.484  -0.343  0.00  0.00    +0.071 A 
ATOM      9  N   LIG    1       -0.397   1.432  -0.297  0.00  0.00    -0.309 N 
ATOM     10  C   LIG    1       -0.762   0.103  -0.324  0.00  0.00    +0.200 A 
ATOM     11  N   LIG    1        0.287  -0.682  -0.338  0.00  0.00    -0.214 NA
ATOM     12  C   LIG    1        5.160   0.544  -0.437  0.00  0.00    +0.054 C 
ATOM     13  C   LIG    1        1.378   0.149  -0.359  0.00  0.00    +0.096 A 
ATOM     14  C   LIG    1        5.442  -0.844  -1.006  0.00  0.00    +0.116 C 
ATOM     15  O   LIG    1        4.324  -4.059   0.244  0.00  0.00    -0.226 OA
ENDROOT
BRANCH  10  16
ATOM     16  N   LIG    1       -2.065  -0.294  -0.300  0.00  0.00    -0.298 N 
ATOM     17  C   LIG    1       -2.496  -0.906  -1.595  0.00  0.00    +0.127 C 
ATOM     18  C   LIG    1       -3.689  -1.861  -1.429  0.00  0.00    +0.126 C 
ATOM     19  N   LIG    1       -3.382  -2.958  -0.509  0.00  0.00    -0.299 N 
ATOM     20  C   LIG    1       -3.961  -4.196  -0.715  0.00  0.00    +0.213 C 
ATOM     21  O   LIG    1       -4.798  -4.398  -1.594  0.00  0.00    -0.276 OA
ATOM     22  C   LIG    1       -3.531  -5.313   0.203  0.00  0.00    +0.109 C 
ATOM     23  C   LIG    1       -2.416  -2.648   0.554  0.00  0.00    +0.126 C 
ATOM     24  C   LIG    1       -2.385  -1.146   0.881  0.00  0.00    +0.127 C 
ENDBRANCH  10  16
BRANCH   1  26
ATOM     25  C   LIG    1        6.896  -4.582   0.004  0.00  0.00    +0.282 C 
ATOM     26  O   LIG    1        6.401  -3.270  -0.263  0.00  0.00    -0.454 OA
ENDBRANCH   1  26
BRANCH   9  27
ATOM     27  C   LIG    1       -1.281   2.593  -0.181  0.00  0.00    +0.092 C 
ATOM     28  C   LIG    1       -2.131   2.795  -1.438  0.00  0.00    +0.031 C 
BRANCH  27  29
ATOM     29  C   LIG    1       -2.119   2.549   1.114  0.00  0.00    +0.061 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -2.660   3.897   1.514  0.00  0.00    -0.027 A 
ATOM     31  C   LIG    1       -3.971   4.263   1.225  0.00  0.00    +0.114 A 
ATOM     32  N   LIG    1       -4.509   5.463   1.539  0.00  0.00    -0.263 NA
ATOM     33  C   LIG    1       -3.707   6.340   2.178  0.00  0.00    +0.111 A 
ATOM     34  C   LIG    1       -2.390   6.075   2.513  0.00  0.00    +0.020 A 
ATOM     35  C   LIG    1       -1.860   4.833   2.174  0.00  0.00    +0.006 A 
ENDBRANCH  29  30
ENDBRANCH  27  29
ENDBRANCH   9  27
TORSDOF 5