REMARK  Name = BDB045502
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.863  -0.342  -1.985  0.00  0.00    +0.150 C 
ATOM      2  N   LIG    1       -4.782  -0.455  -1.028  0.00  0.00    -0.331 N 
ATOM      3  C   LIG    1       -3.688   0.392  -0.968  0.00  0.00    +0.052 A 
ATOM      4  C   LIG    1       -2.909  -0.023   0.118  0.00  0.00    +0.023 A 
ATOM      5  C   LIG    1       -1.723   0.683   0.420  0.00  0.00    +0.057 A 
ATOM      6  C   LIG    1       -1.344   1.763  -0.386  0.00  0.00    +0.129 A 
ATOM      7  C   LIG    1       -2.141   2.172  -1.450  0.00  0.00    +0.048 A 
ATOM      8  C   LIG    1       -3.562  -1.147   0.697  0.00  0.00    +0.099 A 
ATOM      9  C   LIG    1       -3.320   1.490  -1.766  0.00  0.00    +0.030 A 
ATOM     10  C   LIG    1       -4.699  -1.414  -0.039  0.00  0.00    +0.115 A 
ENDROOT
BRANCH  10  11
ATOM     11  N   LIG    1       -5.631  -2.386   0.097  0.00  0.00    -0.343 N 
ATOM     12  H   LIG    1       -6.268  -2.636  -0.654  0.00  0.00    +0.144 HD
ATOM     13  H   LIG    1       -5.467  -3.166   0.734  0.00  0.00    +0.144 HD
ENDBRANCH  10  11
BRANCH   8  14
ATOM     14  C   LIG    1       -3.116  -1.891   1.833  0.00  0.00    +0.103 C 
ATOM     15  N   LIG    1       -2.754  -2.499   2.754  0.00  0.00    -0.191 NA
ENDBRANCH   8  14
BRANCH   6  16
ATOM     16  O   LIG    1       -0.216   2.511  -0.128  0.00  0.00    -0.456 OA
BRANCH  16  17
ATOM     17  C   LIG    1        0.956   1.822   0.081  0.00  0.00    +0.129 A 
ATOM     18  C   LIG    1        1.738   2.210   1.165  0.00  0.00    +0.048 A 
ATOM     19  C   LIG    1        2.954   1.565   1.412  0.00  0.00    +0.027 A 
ATOM     20  C   LIG    1        3.406   0.541   0.568  0.00  0.00    +0.034 A 
ATOM     21  C   LIG    1        2.624   0.177  -0.530  0.00  0.00    +0.027 A 
ATOM     22  C   LIG    1        1.405   0.819  -0.779  0.00  0.00    +0.048 A 
BRANCH  20  23
ATOM     23  N   LIG    1        4.640  -0.057   0.891  0.00  0.00    -0.284 N 
ATOM     24  H   LIG    1        5.102   0.293   1.718  0.00  0.00    +0.155 HD
ATOM     25  C   LIG    1        5.300  -1.068   0.216  0.00  0.00    +0.231 C 
ATOM     26  O   LIG    1        4.913  -1.621  -0.811  0.00  0.00    -0.274 OA
BRANCH  25  27
ATOM     27  C   LIG    1        6.633  -1.494   0.856  0.00  0.00    +0.175 C 
BRANCH  27  28
ATOM     28  N   LIG    1        6.989  -0.757   2.078  0.00  0.00    -0.322 NA
ATOM     29  H   LIG    1        6.305  -0.911   2.814  0.00  0.00    +0.119 HD
ATOM     30  H   LIG    1        7.114   0.234   1.889  0.00  0.00    +0.119 HD
ENDBRANCH  27  28
ENDBRANCH  25  27
ENDBRANCH  20  23
ENDBRANCH  16  17
ENDBRANCH   6  16
TORSDOF 7