REMARK  Name = BDB020945
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        3.401  -0.307  -0.952  0.00  0.00    -0.312 N 
ATOM      2  C   LIG    1        2.465  -0.907   0.032  0.00  0.00    +0.131 C 
ATOM      3  C   LIG    1        1.333  -1.731  -0.627  0.00  0.00    +0.119 C 
ATOM      4  N   LIG    1        0.572  -0.913  -1.609  0.00  0.00    -0.293 N 
ATOM      5  C   LIG    1       -0.808  -0.925  -1.793  0.00  0.00    +0.216 C 
ATOM      6  O   LIG    1       -1.336  -0.209  -2.644  0.00  0.00    -0.276 OA
ATOM      7  C   LIG    1        1.317   0.175  -2.268  0.00  0.00    +0.127 C 
ATOM      8  C   LIG    1        2.833  -0.041  -2.296  0.00  0.00    +0.125 C 
ENDROOT
BRANCH   1  12
ATOM      9  C   LIG    1        5.363   2.967   0.762  0.00  0.00    +0.070 A 
ATOM     10  C   LIG    1        4.462   3.093  -0.280  0.00  0.00    +0.131 A 
ATOM     11  N   LIG    1        3.816   2.047  -0.855  0.00  0.00    -0.239 NA
ATOM     12  C   LIG    1        4.061   0.805  -0.387  0.00  0.00    +0.121 A 
ATOM     13  C   LIG    1        4.962   0.600   0.662  0.00  0.00    +0.045 A 
ATOM     14  C   LIG    1        5.618   1.688   1.242  0.00  0.00    +0.024 A 
BRANCH   9  16
ATOM     15  N   LIG    1        6.527   5.048   1.767  0.00  0.00    -0.191 NA
ATOM     16  C   LIG    1        6.005   4.115   1.315  0.00  0.00    +0.101 C 
ENDBRANCH   9  16
ENDBRANCH   1  12
BRANCH   3  17
ATOM     17  C   LIG    1        1.889  -3.029  -1.249  0.00  0.00    +0.179 C 
BRANCH  17  18
ATOM     18  O   LIG    1        0.849  -3.810  -1.834  0.00  0.00    -0.393 OA
ATOM     19  H   LIG    1        0.548  -3.316  -2.619  0.00  0.00    +0.209 HD
ENDBRANCH  17  18
ENDBRANCH   3  17
BRANCH   5  20
ATOM     20  C   LIG    1       -1.637  -1.868  -0.928  0.00  0.00    +0.103 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.145  -1.695  -1.123  0.00  0.00    +0.083 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -3.709  -0.838  -0.014  0.00  0.00    +0.111 A 
ATOM     23  N   LIG    1       -4.090  -1.504   1.121  0.00  0.00    -0.310 N 
ATOM     24  H   LIG    1       -4.033  -2.510   1.183  0.00  0.00    +0.170 HD
ATOM     25  C   LIG    1       -4.597  -0.873   2.229  0.00  0.00    +0.259 A 
ATOM     26  O   LIG    1       -4.931  -1.492   3.232  0.00  0.00    -0.267 OA
ATOM     27  C   LIG    1       -4.705   0.592   2.133  0.00  0.00    +0.065 A 
ATOM     28  C   LIG    1       -4.285   1.188   0.941  0.00  0.00    +0.078 A 
ATOM     29  C   LIG    1       -4.374   2.576   0.823  0.00  0.00    +0.028 A 
ATOM     30  C   LIG    1       -4.874   3.349   1.875  0.00  0.00    +0.002 A 
ATOM     31  C   LIG    1       -5.291   2.738   3.059  0.00  0.00    +0.001 A 
ATOM     32  C   LIG    1       -5.207   1.353   3.193  0.00  0.00    +0.015 A 
ATOM     33  N   LIG    1       -3.775   0.446  -0.137  0.00  0.00    -0.234 NA
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   5  20
TORSDOF 7