REMARK  Name = BDB030739
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.896  -1.209   0.676  0.00  0.00    +0.108 C 
ATOM      2  N   LIG    1       -1.597  -0.670   0.235  0.00  0.00    -0.334 N 
ATOM      3  H   LIG    1       -1.192  -1.167  -0.557  0.00  0.00    +0.147 HD
ATOM      4  C   LIG    1       -1.489   0.716   0.065  0.00  0.00    +0.084 A 
ATOM      5  C   LIG    1       -0.159   1.287  -0.236  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1       -0.026   2.669  -0.444  0.00  0.00    +0.054 A 
ATOM      7  N   LIG    1       -1.168   3.513  -0.323  0.00  0.00    -0.308 N 
ATOM      8  C   LIG    1       -2.424   3.014   0.009  0.00  0.00    +0.295 A 
ATOM      9  O   LIG    1       -3.416   3.732   0.148  0.00  0.00    -0.264 OA
ATOM     10  C   LIG    1       -1.034   4.950  -0.516  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1        1.241   3.188  -0.748  0.00  0.00    +0.028 A 
ATOM     12  C   LIG    1        2.363   2.356  -0.825  0.00  0.00    +0.025 A 
ATOM     13  C   LIG    1        2.255   0.984  -0.598  0.00  0.00    +0.032 A 
ATOM     14  C   LIG    1        0.989   0.469  -0.301  0.00  0.00    +0.035 A 
ATOM     15  C   LIG    1       -2.559   1.531   0.176  0.00  0.00    +0.207 A 
ATOM     16  O   LIG    1       -3.848   1.050   0.419  0.00  0.00    -0.483 OA
ATOM     17  C   LIG    1       -4.012  -0.337   0.077  0.00  0.00    +0.251 C 
ENDROOT
BRANCH   1  19
ATOM     18  C   LIG    1       -4.238  -3.373   0.827  0.00  0.00    +0.006 C 
ATOM     19  C   LIG    1       -2.996  -2.686   0.281  0.00  0.00    +0.022 C 
ENDBRANCH   1  19
BRANCH  13  20
ATOM     20  N   LIG    1        3.421   0.195  -0.616  0.00  0.00    -0.313 N 
ATOM     21  H   LIG    1        4.147   0.575  -1.222  0.00  0.00    +0.152 HD
BRANCH  20  22
ATOM     22  C   LIG    1        3.747  -1.013   0.043  0.00  0.00    +0.053 A 
ATOM     23  C   LIG    1        4.655  -1.929  -0.521  0.00  0.00    +0.110 A 
ATOM     24  C   LIG    1        4.892  -3.118   0.157  0.00  0.00    +0.148 A 
ATOM     25 CL   LIG    1        5.976  -4.330  -0.415  0.00  0.00    -0.061 Cl
ATOM     26  N   LIG    1        4.308  -3.461   1.327  0.00  0.00    -0.242 NA
ATOM     27  C   LIG    1        3.443  -2.574   1.851  0.00  0.00    +0.114 A 
ATOM     28  C   LIG    1        3.135  -1.363   1.254  0.00  0.00    +0.044 A 
BRANCH  23  29
ATOM     29  C   LIG    1        5.312  -1.649  -1.757  0.00  0.00    +0.104 C 
ATOM     30  N   LIG    1        5.831  -1.363  -2.755  0.00  0.00    -0.191 NA
ENDBRANCH  23  29
ENDBRANCH  20  22
ENDBRANCH  13  20
TORSDOF 4