REMARK  Name = BDB055098
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.304   1.187  -1.707  0.00  0.00    +0.077 A 
ATOM      2  C   LIG    1       -1.093   1.111  -1.625  0.00  0.00    +0.108 A 
ATOM      3  C   LIG    1       -1.938   1.657  -2.585  0.00  0.00    +0.180 A 
ATOM      4  N   LIG    1       -3.252   1.449  -2.276  0.00  0.00    -0.208 NA
ATOM      5  C   LIG    1       -3.240   0.783  -1.141  0.00  0.00    +0.144 A 
ATOM      6  N   LIG    1       -1.499   2.309  -3.682  0.00  0.00    -0.233 NA
ATOM      7  C   LIG    1       -0.152   2.388  -3.772  0.00  0.00    +0.135 A 
ATOM      8  N   LIG    1       -1.958   0.560  -0.716  0.00  0.00    -0.335 N 
ATOM      9  H   LIG    1       -1.698   0.070   0.126  0.00  0.00    +0.167 HD
ATOM     10  C   LIG    1        0.760   1.868  -2.855  0.00  0.00    +0.082 A 
ATOM     11 CL   LIG    1        2.449   2.079  -3.161  0.00  0.00    -0.080 Cl
ENDROOT
BRANCH   5  12
ATOM     12  C   LIG    1       -4.508   0.315  -0.387  0.00  0.00    +0.058 A 
ATOM     13  C   LIG    1       -5.861   0.502  -0.752  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1       -6.401   1.192  -1.949  0.00  0.00    +0.068 C 
ATOM     15  N   LIG    1       -6.688  -0.045   0.151  0.00  0.00    -0.176 NA
ATOM     16  N   LIG    1       -5.865  -0.569   1.074  0.00  0.00    -0.274 N 
ATOM     17  C   LIG    1       -6.428  -1.250   2.216  0.00  0.00    +0.172 C 
ATOM     18  C   LIG    1       -4.541  -0.381   0.799  0.00  0.00    +0.119 A 
ENDBRANCH   5  12
BRANCH   1  22
ATOM     19  N   LIG    1        2.238  -0.711   1.575  0.00  0.00    -0.292 NA
ATOM     20  C   LIG    1        2.339  -1.313   0.227  0.00  0.00    +0.104 C 
ATOM     21  C   LIG    1        1.203  -0.823  -0.703  0.00  0.00    +0.120 C 
ATOM     22  N   LIG    1        1.198   0.653  -0.767  0.00  0.00    -0.325 N 
ATOM     23  C   LIG    1        1.153   1.305   0.557  0.00  0.00    +0.120 C 
ATOM     24  C   LIG    1        2.287   0.763   1.460  0.00  0.00    +0.104 C 
BRANCH  19  25
ATOM     25  C   LIG    1        3.248  -1.245   2.516  0.00  0.00    +0.164 C 
BRANCH  25  30
ATOM     26  C   LIG    1        7.764  -1.557   0.492  0.00  0.00    +0.112 C 
ATOM     27  C   LIG    1        6.550  -1.202   1.248  0.00  0.00    +0.224 A 
ATOM     28  O   LIG    1        6.626  -0.096   2.042  0.00  0.00    -0.338 OA
ATOM     29  N   LIG    1        5.376   0.043   2.648  0.00  0.00    -0.060 NA
ATOM     30  C   LIG    1        4.676  -0.985   2.146  0.00  0.00    +0.186 A 
ATOM     31  N   LIG    1        5.378  -1.794   1.282  0.00  0.00    -0.195 NA
ENDBRANCH  25  30
ENDBRANCH  19  25
ENDBRANCH   1  22
TORSDOF 4