REMARK  Name = BDB062421
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.761  -1.602   1.619  0.00  0.00    +0.023 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.737  -0.670   0.954  0.00  0.00    +0.085 C 
BRANCH   2   6
ATOM      3  N   LIG    1        2.907   0.127   0.986  0.00  0.00    -0.299 N 
ATOM      4  C   LIG    1        2.341  -1.125   1.542  0.00  0.00    +0.123 C 
ATOM      5  C   LIG    1        1.171  -0.822   2.508  0.00  0.00    +0.103 C 
ATOM      6  N   LIG    1        0.088   0.029   1.956  0.00  0.00    -0.299 NA
ATOM      7  C   LIG    1        0.715   1.241   1.377  0.00  0.00    +0.103 C 
ATOM      8  C   LIG    1        1.857   0.972   0.370  0.00  0.00    +0.123 C 
BRANCH   3  13
ATOM      9  C   LIG    1        7.124   1.163  -1.264  0.00  0.00    +0.065 C 
ATOM     10  C   LIG    1        5.930   0.412  -0.814  0.00  0.00    +0.036 A 
ATOM     11  N   LIG    1        4.979   0.899   0.056  0.00  0.00    -0.319 N 
ATOM     12  C   LIG    1        5.027   2.171   0.737  0.00  0.00    +0.152 C 
ATOM     13  C   LIG    1        4.007  -0.068   0.205  0.00  0.00    +0.198 A 
ATOM     14  N   LIG    1        4.333  -1.155  -0.460  0.00  0.00    -0.222 NA
ATOM     15  C   LIG    1        5.504  -0.865  -1.104  0.00  0.00    +0.135 A 
ENDBRANCH   3  13
ENDBRANCH   2   6
ENDBRANCH   1   2
BRANCH   1  16
ATOM     16  C   LIG    1       -2.576  -2.403   0.603  0.00  0.00    +0.075 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -3.604  -1.615  -0.181  0.00  0.00    +0.110 A 
ATOM     18  N   LIG    1       -4.313  -2.352  -1.093  0.00  0.00    -0.310 N 
ATOM     19  H   LIG    1       -4.146  -3.342  -1.205  0.00  0.00    +0.170 HD
ATOM     20  C   LIG    1       -5.297  -1.823  -1.887  0.00  0.00    +0.259 A 
ATOM     21  O   LIG    1       -5.927  -2.507  -2.683  0.00  0.00    -0.267 OA
ATOM     22  C   LIG    1       -5.546  -0.381  -1.720  0.00  0.00    +0.066 A 
ATOM     23  C   LIG    1       -4.775   0.307  -0.777  0.00  0.00    +0.096 A 
ATOM     24  C   LIG    1       -5.005   1.684  -0.628  0.00  0.00    +0.067 A 
ATOM     25  C   LIG    1       -5.977   2.340  -1.394  0.00  0.00    +0.022 A 
ATOM     26  C   LIG    1       -6.736   1.630  -2.325  0.00  0.00    +0.002 A 
ATOM     27 CL   LIG    1       -4.093   2.627   0.500  0.00  0.00    -0.081 Cl
ATOM     28  C   LIG    1       -6.521   0.264  -2.491  0.00  0.00    +0.015 A 
ATOM     29  N   LIG    1       -3.798  -0.352  -0.001  0.00  0.00    -0.232 NA
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 5