REMARK  Name = BDB012611
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.557   0.954  -0.330  0.00  0.00    +0.008 A 
ATOM      2  C   LIG    1        2.280   0.410  -0.510  0.00  0.00    +0.040 A 
ATOM      3  C   LIG    1        1.530   0.785  -1.624  0.00  0.00    +0.091 A 
ATOM      4  N   LIG    1        2.006   1.654  -2.549  0.00  0.00    -0.253 NA
ATOM      5  C   LIG    1        3.243   2.154  -2.371  0.00  0.00    +0.112 A 
ATOM      6  C   LIG    1        4.047   1.838  -1.293  0.00  0.00    +0.030 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1        4.029   0.283   2.092  0.00  0.00    +0.163 A 
ATOM      8  C   LIG    1        4.397   0.616   0.806  0.00  0.00    +0.130 A 
ATOM      9  N   LIG    1        5.771   0.630   0.735  0.00  0.00    -0.128 NA
ATOM     10  N   LIG    1        6.258   0.299   1.923  0.00  0.00    -0.067 NA
ATOM     11  N   LIG    1        5.215   0.090   2.737  0.00  0.00    -0.247 N 
ATOM     12  H   LIG    1        5.392  -0.167   3.702  0.00  0.00    +0.191 HD
BRANCH   7  14
ATOM     13  N   LIG    1        1.749   0.042   3.252  0.00  0.00    -0.189 NA
ATOM     14  C   LIG    1        2.771   0.164   2.719  0.00  0.00    +0.121 C 
ENDBRANCH   7  14
ENDBRANCH   1   8
BRANCH   3  15
ATOM     15  C   LIG    1        0.183   0.262  -1.863  0.00  0.00    +0.107 A 
ATOM     16  N   LIG    1       -0.619   0.655  -2.919  0.00  0.00    -0.234 NA
ATOM     17  C   LIG    1       -1.739  -0.017  -2.791  0.00  0.00    +0.200 A 
ATOM     18  N   LIG    1       -1.709  -0.827  -1.695  0.00  0.00    -0.332 N 
ATOM     19  C   LIG    1       -0.485  -0.677  -1.099  0.00  0.00    +0.117 A 
BRANCH  18  20
ATOM     20  C   LIG    1       -2.773  -1.724  -1.276  0.00  0.00    +0.159 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.501  -1.192  -0.065  0.00  0.00    -0.009 A 
ATOM     22  C   LIG    1       -3.268  -1.665   1.236  0.00  0.00    +0.046 A 
ATOM     23 CL   LIG    1       -2.139  -2.930   1.567  0.00  0.00    -0.083 Cl
ATOM     24  C   LIG    1       -3.958  -1.122   2.326  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1       -4.886  -0.100   2.133  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1       -5.126   0.383   0.851  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -4.440  -0.156  -0.239  0.00  0.00    +0.007 A 
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   3  15
TORSDOF 5