REMARK  Name = BDB055094
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.347   0.711  -0.171  0.00  0.00    +0.144 A 
ATOM      2  N   LIG    1       -2.056   0.379  -0.486  0.00  0.00    -0.335 N 
ATOM      3  H   LIG    1       -1.408  -0.092   0.126  0.00  0.00    +0.167 HD
ATOM      4  C   LIG    1       -1.799   0.793  -1.767  0.00  0.00    +0.108 A 
ATOM      5  C   LIG    1       -2.997   1.374  -2.165  0.00  0.00    +0.180 A 
ATOM      6  N   LIG    1       -3.191   1.924  -3.383  0.00  0.00    -0.233 NA
ATOM      7  C   LIG    1       -2.110   1.860  -4.193  0.00  0.00    +0.135 A 
ATOM      8  C   LIG    1       -0.878   1.295  -3.869  0.00  0.00    +0.082 A 
ATOM      9 CL   LIG    1        0.379   1.318  -5.058  0.00  0.00    -0.080 Cl
ATOM     10  C   LIG    1       -0.672   0.721  -2.597  0.00  0.00    +0.077 A 
ATOM     11  N   LIG    1       -3.938   1.318  -1.177  0.00  0.00    -0.208 NA
ENDROOT
BRANCH   1  14
ATOM     12  C   LIG    1       -6.404   1.400   0.829  0.00  0.00    +0.068 C 
ATOM     13  C   LIG    1       -5.338   0.715   1.601  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1       -4.019   0.409   1.190  0.00  0.00    +0.058 A 
ATOM     15  C   LIG    1       -3.438  -0.223   2.264  0.00  0.00    +0.119 A 
ATOM     16  N   LIG    1       -4.403  -0.265   3.229  0.00  0.00    -0.274 N 
ATOM     17  C   LIG    1       -4.288  -0.833   4.550  0.00  0.00    +0.172 C 
ATOM     18  N   LIG    1       -5.566   0.298   2.856  0.00  0.00    -0.176 NA
ENDBRANCH   1  14
BRANCH  10  19
ATOM     19  N   LIG    1        0.560   0.146  -2.241  0.00  0.00    -0.325 N 
ATOM     20  C   LIG    1        1.271   0.867  -1.167  0.00  0.00    +0.120 C 
ATOM     21  C   LIG    1        2.670   0.252  -0.935  0.00  0.00    +0.104 C 
ATOM     22  N   LIG    1        2.600  -1.204  -0.651  0.00  0.00    -0.292 NA
ATOM     23  C   LIG    1        1.921  -1.874  -1.783  0.00  0.00    +0.104 C 
ATOM     24  C   LIG    1        0.502  -1.313  -2.027  0.00  0.00    +0.120 C 
BRANCH  22  25
ATOM     25  C   LIG    1        3.954  -1.778  -0.473  0.00  0.00    +0.162 C 
BRANCH  25  26
ATOM     26  C   LIG    1        4.600  -1.318   0.804  0.00  0.00    +0.165 A 
ATOM     27  N   LIG    1        5.528  -0.347   0.845  0.00  0.00    -0.154 NA
ATOM     28  N   LIG    1        5.805  -0.298   2.159  0.00  0.00    -0.255 N 
ATOM     29  C   LIG    1        6.774   0.635   2.667  0.00  0.00    +0.174 C 
ATOM     30  C   LIG    1        5.076  -1.207   2.854  0.00  0.00    +0.219 A 
ATOM     31  N   LIG    1        4.304  -1.874   2.029  0.00  0.00    -0.218 NA
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH  10  19
TORSDOF 4