REMARK  Name = BDB057445
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.366   0.698  -0.011  0.00  0.00    +0.203 A 
ATOM      2  N   LIG    1       -1.030   0.690  -1.181  0.00  0.00    -0.224 NA
ATOM      3  C   LIG    1       -0.316   0.444  -2.279  0.00  0.00    +0.078 A 
ATOM      4  C   LIG    1        1.065   0.198  -2.247  0.00  0.00    +0.041 A 
ATOM      5  C   LIG    1        1.750  -0.079  -3.458  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1        1.070  -0.091  -4.674  0.00  0.00    +0.021 A 
ATOM      7  C   LIG    1       -0.294   0.167  -4.688  0.00  0.00    +0.043 A 
ATOM      8 CL   LIG    1       -1.149   0.156  -6.180  0.00  0.00    -0.083 Cl
ATOM      9  C   LIG    1        1.660   0.231  -0.970  0.00  0.00    +0.136 A 
ATOM     10  C   LIG    1       -0.975   0.429  -3.500  0.00  0.00    +0.048 A 
ATOM     11  N   LIG    1        0.949   0.496   0.138  0.00  0.00    -0.209 NA
ENDROOT
BRANCH   1  12
ATOM     12  C   LIG    1       -1.144   1.031   1.219  0.00  0.00    +0.230 C 
ATOM     13  O   LIG    1       -0.615   1.601   2.174  0.00  0.00    -0.283 OA
BRANCH  12  18
ATOM     14  C   LIG    1       -6.797  -0.174   1.732  0.00  0.00    +0.044 C 
ATOM     15  C   LIG    1       -5.340   0.145   1.566  0.00  0.00    -0.050 A 
ATOM     16  C   LIG    1       -4.774   1.238   2.232  0.00  0.00    +0.004 A 
ATOM     17  C   LIG    1       -3.411   1.515   2.104  0.00  0.00    +0.012 A 
ATOM     18  C   LIG    1       -2.594   0.703   1.306  0.00  0.00    +0.025 A 
ATOM     19  C   LIG    1       -3.151  -0.410   0.667  0.00  0.00    +0.012 A 
ATOM     20  C   LIG    1       -4.516  -0.685   0.797  0.00  0.00    +0.004 A 
ENDBRANCH  12  18
ENDBRANCH   1  12
BRANCH   9  21
ATOM     21  N   LIG    1        3.056   0.018  -0.856  0.00  0.00    -0.282 N 
ATOM     22  H   LIG    1        3.551   0.712  -1.401  0.00  0.00    +0.155 HD
BRANCH  21  23
ATOM     23  C   LIG    1        3.695  -0.503   0.216  0.00  0.00    +0.146 A 
ATOM     24  N   LIG    1        3.227  -1.431   1.054  0.00  0.00    -0.158 NA
ATOM     25  N   LIG    1        4.208  -1.605   1.947  0.00  0.00    -0.280 N 
ATOM     26  H   LIG    1        4.043  -2.246   2.716  0.00  0.00    +0.189 HD
ATOM     27  C   LIG    1        5.334  -0.881   1.674  0.00  0.00    +0.035 A 
ATOM     28  C   LIG    1        6.547  -0.952   2.515  0.00  0.00    +0.065 C 
ATOM     29  C   LIG    1        5.030  -0.156   0.543  0.00  0.00    +0.068 A 
ENDBRANCH  21  23
ENDBRANCH   9  21
TORSDOF 4