REMARK  Name = BDB030740
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.650   5.019  -0.786  0.00  0.00    +0.152 C 
ATOM      2  N   LIG    1       -0.877   3.588  -0.647  0.00  0.00    -0.308 N 
ATOM      3  C   LIG    1        0.192   2.731  -0.253  0.00  0.00    +0.054 A 
ATOM      4  C   LIG    1       -0.030   1.350  -0.140  0.00  0.00    +0.025 A 
ATOM      5  C   LIG    1        1.050   0.506   0.197  0.00  0.00    +0.035 A 
ATOM      6  C   LIG    1        2.331   1.002   0.455  0.00  0.00    +0.032 A 
ATOM      7  C   LIG    1        2.527   2.380   0.359  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1       -1.379   0.801  -0.394  0.00  0.00    +0.084 A 
ATOM      9  N   LIG    1       -1.577  -0.577  -0.247  0.00  0.00    -0.334 N 
ATOM     10  H   LIG    1       -1.262  -0.895   0.668  0.00  0.00    +0.147 HD
ATOM     11  C   LIG    1       -2.886  -1.128  -0.624  0.00  0.00    +0.111 C 
ATOM     12  C   LIG    1       -3.966  -0.075  -0.327  0.00  0.00    +0.251 C 
ATOM     13  O   LIG    1       -3.685   1.177  -0.979  0.00  0.00    -0.483 OA
ATOM     14  C   LIG    1       -2.380   1.627  -0.765  0.00  0.00    +0.207 A 
ATOM     15  C   LIG    1        1.475   3.234   0.010  0.00  0.00    +0.028 A 
ATOM     16  C   LIG    1       -2.147   3.098  -0.939  0.00  0.00    +0.295 A 
ATOM     17  O   LIG    1       -3.076   3.818  -1.308  0.00  0.00    -0.264 OA
ENDROOT
BRANCH  11  18
ATOM     18  C   LIG    1       -3.046  -2.463   0.051  0.00  0.00    +0.012 C 
ATOM     19  C   LIG    1       -3.278  -2.593   1.538  0.00  0.00    +0.006 C 
ATOM     20  C   LIG    1       -4.362  -2.991   0.573  0.00  0.00    +0.006 C 
ENDBRANCH  11  18
BRANCH   6  21
ATOM     21  N   LIG    1        3.433   0.175   0.742  0.00  0.00    -0.313 N 
ATOM     22  H   LIG    1        4.148   0.645   1.294  0.00  0.00    +0.152 HD
BRANCH  21  23
ATOM     23  C   LIG    1        3.702  -1.175   0.418  0.00  0.00    +0.053 A 
ATOM     24  C   LIG    1        4.503  -1.980   1.251  0.00  0.00    +0.110 A 
ATOM     25  C   LIG    1        4.686  -3.311   0.897  0.00  0.00    +0.148 A 
ATOM     26 CL   LIG    1        5.639  -4.410   1.822  0.00  0.00    -0.061 Cl
ATOM     27  N   LIG    1        4.145  -3.892  -0.197  0.00  0.00    -0.242 NA
ATOM     28  C   LIG    1        3.383  -3.109  -0.981  0.00  0.00    +0.114 A 
ATOM     29  C   LIG    1        3.135  -1.772  -0.716  0.00  0.00    +0.044 A 
BRANCH  24  30
ATOM     30  C   LIG    1        5.107  -1.447   2.429  0.00  0.00    +0.104 C 
ATOM     31  N   LIG    1        5.589  -0.958   3.365  0.00  0.00    -0.191 NA
ENDBRANCH  24  30
ENDBRANCH  21  23
ENDBRANCH   6  21
TORSDOF 4