REMARK  Name = BDB021962
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.456   0.899  -0.530  0.00  0.00    -0.275 N 
ATOM      2  C   LIG    1       -1.716   0.365  -0.829  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1       -1.751  -1.005  -0.955  0.00  0.00    -0.268 N 
ATOM      4  H   LIG    1       -0.880  -1.467  -1.164  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1       -2.703   1.079  -0.991  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   1  11
ATOM      6  C   LIG    1        5.608  -1.346  -1.603  0.00  0.00    +0.109 C 
ATOM      7  C   LIG    1        4.968  -0.863  -0.325  0.00  0.00    +0.212 C 
ATOM      8  N   LIG    1        3.608  -0.556  -0.369  0.00  0.00    -0.302 N 
ATOM      9  C   LIG    1        2.966  -0.227   0.903  0.00  0.00    +0.109 C 
ATOM     10  C   LIG    1        1.764   0.694   0.722  0.00  0.00    +0.041 C 
ATOM     11  C   LIG    1        0.778   0.105  -0.297  0.00  0.00    +0.081 C 
ATOM     12  C   LIG    1        1.509  -0.140  -1.624  0.00  0.00    +0.041 C 
ATOM     13  C   LIG    1        2.725  -1.039  -1.429  0.00  0.00    +0.109 C 
ATOM     14  O   LIG    1        5.647  -0.741   0.694  0.00  0.00    -0.276 OA
ENDBRANCH   1  11
BRANCH   3  15
ATOM     15  C   LIG    1       -2.888  -1.836  -1.105  0.00  0.00    +0.055 A 
ATOM     16  C   LIG    1       -2.685  -3.179  -1.479  0.00  0.00    +0.062 A 
ATOM     17 CL   LIG    1       -1.088  -3.788  -1.770  0.00  0.00    -0.082 Cl
ATOM     18  C   LIG    1       -3.762  -4.056  -1.631  0.00  0.00    +0.023 A 
ATOM     19  C   LIG    1       -5.060  -3.601  -1.403  0.00  0.00    +0.021 A 
ATOM     20  C   LIG    1       -5.269  -2.277  -1.021  0.00  0.00    +0.043 A 
ATOM     21 CL   LIG    1       -6.874  -1.728  -0.726  0.00  0.00    -0.083 Cl
ATOM     22  C   LIG    1       -4.195  -1.397  -0.869  0.00  0.00    +0.044 A 
ENDBRANCH   3  15
BRANCH   1  23
ATOM     23  C   LIG    1       -0.376   2.366  -0.506  0.00  0.00    +0.183 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -0.479   2.914   0.877  0.00  0.00    +0.122 A 
ATOM     25  O   LIG    1       -1.253   2.238   1.776  0.00  0.00    -0.463 OA
ATOM     26  C   LIG    1       -1.200   2.922   2.952  0.00  0.00    +0.102 A 
ATOM     27  C   LIG    1       -1.984   2.357   4.067  0.00  0.00    +0.086 C 
ATOM     28  C   LIG    1       -0.394   4.031   2.819  0.00  0.00    +0.045 A 
ATOM     29  C   LIG    1        0.069   4.028   1.481  0.00  0.00    +0.046 A 
ENDBRANCH  23  24
ENDBRANCH   1  23
TORSDOF 4