REMARK  Name = BDB062300
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.437  -3.133   0.991  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1       -3.158  -1.984   0.017  0.00  0.00    +0.071 C 
ATOM      3  N   LIG    1       -2.323  -1.003   0.702  0.00  0.00    -0.338 N 
ATOM      4  H   LIG    1       -1.569  -1.419   1.237  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1       -2.063   0.294   0.256  0.00  0.00    +0.084 A 
ATOM      6  C   LIG    1       -0.628   0.707   0.189  0.00  0.00    +0.025 A 
ATOM      7  C   LIG    1       -0.288   2.050  -0.038  0.00  0.00    +0.054 A 
ATOM      8  N   LIG    1       -1.312   2.996  -0.306  0.00  0.00    -0.308 N 
ATOM      9  C   LIG    1       -2.642   2.620  -0.418  0.00  0.00    +0.295 A 
ATOM     10  O   LIG    1       -3.522   3.407  -0.776  0.00  0.00    -0.264 OA
ATOM     11  C   LIG    1       -0.972   4.386  -0.576  0.00  0.00    +0.152 C 
ATOM     12  C   LIG    1        1.066   2.426  -0.042  0.00  0.00    +0.028 A 
ATOM     13  C   LIG    1        2.082   1.484   0.132  0.00  0.00    +0.025 A 
ATOM     14  C   LIG    1        1.778   0.139   0.306  0.00  0.00    +0.032 A 
ATOM     15  C   LIG    1        0.424  -0.230   0.318  0.00  0.00    +0.035 A 
ATOM     16  C   LIG    1       -3.018   1.206  -0.054  0.00  0.00    +0.207 A 
ATOM     17  O   LIG    1       -4.388   1.003  -0.040  0.00  0.00    -0.485 OA
ATOM     18  C   LIG    1       -4.941  -0.239   0.379  0.00  0.00    +0.231 C 
ATOM     19  C   LIG    1       -4.463  -1.382  -0.501  0.00  0.00    +0.063 C 
ENDROOT
BRANCH  14  20
ATOM     20  N   LIG    1        2.759  -0.867   0.407  0.00  0.00    -0.313 N 
ATOM     21  H   LIG    1        2.450  -1.661   0.966  0.00  0.00    +0.152 HD
BRANCH  20  22
ATOM     22  C   LIG    1        4.106  -0.910  -0.019  0.00  0.00    +0.053 A 
ATOM     23  C   LIG    1        5.076  -1.643   0.691  0.00  0.00    +0.110 A 
ATOM     24  C   LIG    1        6.388  -1.606   0.237  0.00  0.00    +0.148 A 
ATOM     25 CL   LIG    1        7.676  -2.454   1.007  0.00  0.00    -0.061 Cl
ATOM     26  N   LIG    1        6.803  -0.910  -0.845  0.00  0.00    -0.242 NA
ATOM     27  C   LIG    1        5.863  -0.217  -1.512  0.00  0.00    +0.114 A 
ATOM     28  C   LIG    1        4.529  -0.184  -1.141  0.00  0.00    +0.044 A 
BRANCH  23  29
ATOM     29  C   LIG    1        4.722  -2.406   1.845  0.00  0.00    +0.104 C 
ATOM     30  N   LIG    1        4.369  -3.022   2.763  0.00  0.00    -0.191 NA
ENDBRANCH  23  29
ENDBRANCH  20  22
ENDBRANCH  14  20
TORSDOF 3