REMARK  Name = BDB013034
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.044   0.034   0.277  0.00  0.00    +0.046 A 
ATOM      2  C   LIG    1        2.207  -1.101   0.120  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1        0.853  -0.877   0.105  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1        0.279  -2.111   0.020  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1        1.212  -3.030  -0.085  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1        0.287   0.399   0.191  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1        1.059   1.443   0.334  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        2.433  -2.392  -0.021  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        2.425   1.231   0.371  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  12
ATOM     10 CL   LIG    1        4.512   0.540   3.010  0.00  0.00    -0.083 Cl
ATOM     11  C   LIG    1        5.266   0.202   1.490  0.00  0.00    +0.049 A 
ATOM     12  C   LIG    1        4.520  -0.020   0.319  0.00  0.00    +0.005 A 
ATOM     13  C   LIG    1        5.207  -0.317  -0.871  0.00  0.00    +0.010 A 
ATOM     14  C   LIG    1        6.602  -0.376  -0.894  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1        7.330  -0.144   0.270  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1        6.663   0.142   1.461  0.00  0.00    +0.020 A 
ENDBRANCH   1  12
BRANCH   6  17
ATOM     17  N   LIG    1       -1.079   0.569   0.142  0.00  0.00    -0.310 N 
ATOM     18  H   LIG    1       -1.279   1.518   0.460  0.00  0.00    +0.149 HD
BRANCH  17  19
ATOM     19  C   LIG    1       -1.771   0.379  -1.130  0.00  0.00    +0.140 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.208   0.798  -0.986  0.00  0.00    -0.024 A 
ATOM     21  C   LIG    1       -4.135   0.033  -0.285  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -3.958  -1.233   0.467  0.00  0.00    +0.080 C 
ATOM     23  C   LIG    1       -5.426  -1.595   0.696  0.00  0.00    +0.234 C 
ATOM     24  O   LIG    1       -6.228  -0.397   0.602  0.00  0.00    -0.491 OA
ATOM     25  C   LIG    1       -5.448   0.459  -0.132  0.00  0.00    +0.124 A 
ATOM     26  C   LIG    1       -5.899   1.650  -0.658  0.00  0.00    +0.046 A 
ATOM     27  C   LIG    1       -4.992   2.434  -1.370  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1       -3.660   2.014  -1.531  0.00  0.00    +0.005 A 
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   6  17
TORSDOF 4