REMARK  Name = BDB004619
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.872  -1.126   1.296  0.00  0.00    +0.138 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        0.428  -0.535   1.796  0.00  0.00    -0.029 A 
ATOM      3  C   LIG    1        1.619  -0.691   1.067  0.00  0.00    +0.028 A 
ATOM      4  C   LIG    1        2.826  -0.141   1.523  0.00  0.00    +0.034 A 
ATOM      5  C   LIG    1        2.829   0.581   2.716  0.00  0.00    +0.023 A 
ATOM      6  C   LIG    1        1.650   0.748   3.447  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1        0.456   0.194   2.991  0.00  0.00    +0.005 A 
BRANCH   4   8
ATOM      8  N   LIG    1        3.972  -0.349   0.724  0.00  0.00    -0.281 N 
ATOM      9  H   LIG    1        3.822  -0.901  -0.110  0.00  0.00    +0.155 HD
ATOM     10  C   LIG    1        5.271   0.030   1.010  0.00  0.00    +0.250 C 
ATOM     11  O   LIG    1        5.675   0.561   2.037  0.00  0.00    -0.270 OA
BRANCH  10  12
ATOM     12  C   LIG    1        6.269  -0.282  -0.043  0.00  0.00    +0.055 A 
ATOM     13  C   LIG    1        7.576  -0.570   0.339  0.00  0.00    +0.125 A 
ATOM     14  N   LIG    1        8.570  -0.873  -0.533  0.00  0.00    -0.243 NA
ATOM     15  C   LIG    1        8.244  -0.863  -1.841  0.00  0.00    +0.129 A 
ATOM     16 CL   LIG    1        9.530  -1.245  -2.907  0.00  0.00    -0.062 Cl
ATOM     17  C   LIG    1        6.980  -0.568  -2.328  0.00  0.00    +0.041 A 
ATOM     18  C   LIG    1        5.973  -0.269  -1.409  0.00  0.00    +0.017 A 
ENDBRANCH  10  12
ENDBRANCH   4   8
ENDBRANCH   1   2
BRANCH   1  19
ATOM     19  N   LIG    1       -1.746  -0.039   0.873  0.00  0.00    -0.324 N 
ATOM     20  H   LIG    1       -1.271   0.583   0.226  0.00  0.00    +0.148 HD
BRANCH  19  24
ATOM     21  C   LIG    1       -6.026   1.042  -1.127  0.00  0.00    +0.063 A 
ATOM     22  C   LIG    1       -5.103   0.076  -0.673  0.00  0.00    +0.088 A 
ATOM     23  C   LIG    1       -3.897   0.541  -0.113  0.00  0.00    +0.041 A 
ATOM     24  C   LIG    1       -2.979  -0.440   0.318  0.00  0.00    +0.130 A 
ATOM     25  N   LIG    1       -3.247  -1.752   0.243  0.00  0.00    -0.220 NA
ATOM     26  C   LIG    1       -4.418  -2.093  -0.291  0.00  0.00    +0.223 A 
ATOM     27  C   LIG    1       -3.656   1.934   0.005  0.00  0.00    +0.013 A 
ATOM     28  C   LIG    1       -4.579   2.867  -0.443  0.00  0.00    +0.002 A 
ATOM     29  N   LIG    1       -5.346  -1.252  -0.760  0.00  0.00    -0.235 NA
ATOM     30  C   LIG    1       -5.760   2.421  -1.012  0.00  0.00    +0.015 A 
BRANCH  21  34
ATOM     31  N   LIG    1       -7.669  -0.625  -1.883  0.00  0.00    -0.325 N 
ATOM     32  H   LIG    1       -7.045  -1.354  -1.550  0.00  0.00    +0.145 HD
ATOM     33  H   LIG    1       -8.560  -0.870  -2.291  0.00  0.00    +0.145 HD
ATOM     34  C   LIG    1       -7.340   0.691  -1.753  0.00  0.00    +0.244 C 
ATOM     35  O   LIG    1       -8.116   1.557  -2.147  0.00  0.00    -0.270 OA
ENDBRANCH  21  34
ENDBRANCH  19  24
ENDBRANCH   1  19
TORSDOF 6