REMARK  Name = BDB004621
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.003  -2.198   0.461  0.00  0.00    +0.138 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.385  -2.379  -0.110  0.00  0.00    -0.029 A 
ATOM      3  C   LIG    1       -1.420  -1.501   0.257  0.00  0.00    +0.028 A 
ATOM      4  C   LIG    1       -2.711  -1.641  -0.268  0.00  0.00    +0.034 A 
ATOM      5  C   LIG    1       -2.964  -2.674  -1.170  0.00  0.00    +0.023 A 
ATOM      6  C   LIG    1       -1.943  -3.551  -1.546  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1       -0.659  -3.405  -1.021  0.00  0.00    +0.005 A 
BRANCH   4   8
ATOM      8  N   LIG    1       -3.680  -0.716   0.156  0.00  0.00    -0.280 N 
ATOM      9  H   LIG    1       -3.387  -0.001   0.819  0.00  0.00    +0.155 HD
ATOM     10  C   LIG    1       -5.010  -0.637  -0.211  0.00  0.00    +0.267 C 
ATOM     11  O   LIG    1       -5.613  -1.367  -0.988  0.00  0.00    -0.268 OA
BRANCH  10  12
ATOM     12  C   LIG    1       -5.731   0.496   0.459  0.00  0.00    +0.127 A 
ATOM     13  N   LIG    1       -4.985   1.260   1.304  0.00  0.00    -0.231 NA
ATOM     14  C   LIG    1       -5.637   2.275   1.903  0.00  0.00    +0.130 A 
ATOM     15 CL   LIG    1       -4.666   3.214   2.958  0.00  0.00    -0.062 Cl
ATOM     16  C   LIG    1       -6.977   2.575   1.714  0.00  0.00    +0.040 A 
ATOM     17  C   LIG    1       -7.712   1.775   0.845  0.00  0.00    +0.005 A 
ATOM     18  C   LIG    1       -7.081   0.714   0.202  0.00  0.00    +0.033 A 
ENDBRANCH  10  12
ENDBRANCH   4   8
ENDBRANCH   1   2
BRANCH   1  19
ATOM     19  N   LIG    1        1.571  -0.968  -0.079  0.00  0.00    -0.324 N 
ATOM     20  H   LIG    1        1.530  -0.969  -1.094  0.00  0.00    +0.148 HD
BRANCH  19  24
ATOM     21  C   LIG    1        5.506   1.859  -0.178  0.00  0.00    +0.063 A 
ATOM     22  C   LIG    1        4.846   0.706   0.298  0.00  0.00    +0.088 A 
ATOM     23  C   LIG    1        3.526   0.484  -0.140  0.00  0.00    +0.041 A 
ATOM     24  C   LIG    1        2.889  -0.682   0.334  0.00  0.00    +0.130 A 
ATOM     25  N   LIG    1        3.484  -1.523   1.193  0.00  0.00    -0.220 NA
ATOM     26  C   LIG    1        4.728  -1.223   1.557  0.00  0.00    +0.223 A 
ATOM     27  C   LIG    1        2.896   1.414  -1.006  0.00  0.00    +0.013 A 
ATOM     28  C   LIG    1        3.561   2.544  -1.459  0.00  0.00    +0.002 A 
ATOM     29  N   LIG    1        5.438  -0.166   1.146  0.00  0.00    -0.235 NA
ATOM     30  C   LIG    1        4.866   2.763  -1.049  0.00  0.00    +0.015 A 
BRANCH  21  34
ATOM     31  N   LIG    1        7.593   1.380   1.032  0.00  0.00    -0.325 N 
ATOM     32  H   LIG    1        8.535   1.621   1.305  0.00  0.00    +0.145 HD
ATOM     33  H   LIG    1        7.152   0.548   1.412  0.00  0.00    +0.145 HD
ATOM     34  C   LIG    1        6.911   2.214   0.197  0.00  0.00    +0.244 C 
ATOM     35  O   LIG    1        7.454   3.228  -0.230  0.00  0.00    -0.270 OA
ENDBRANCH  21  34
ENDBRANCH  19  24
ENDBRANCH   1  19
TORSDOF 6