REMARK  Name = BDB027885
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.615  -0.384   0.250  0.00  0.00    -0.330 N 
ATOM      2  H   LIG    1        0.724  -1.386   0.067  0.00  0.00    +0.147 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        1.787   0.415  -0.145  0.00  0.00    +0.158 C 
ATOM      4  C   LIG    1        2.088   1.502   0.897  0.00  0.00    +0.239 C 
ATOM      5  O   LIG    1        1.826   2.692   0.724  0.00  0.00    -0.273 OA
ATOM      6  N   LIG    1        2.707   1.087   2.052  0.00  0.00    -0.255 N 
ATOM      7  H   LIG    1        2.893   1.821   2.722  0.00  0.00    +0.158 HD
ATOM      8  C   LIG    1        3.516  -0.010   2.171  0.00  0.00    +0.219 C 
ATOM      9  O   LIG    1        4.316  -0.108   3.097  0.00  0.00    -0.275 OA
ATOM     10  C   LIG    1        3.372  -1.083   1.119  0.00  0.00    +0.098 C 
ATOM     11  C   LIG    1        3.018  -0.491  -0.239  0.00  0.00    +0.041 C 
ENDBRANCH   1   3
BRANCH   1  13
ATOM     12  C   LIG    1       -1.593  -1.062  -0.499  0.00  0.00    +0.142 A 
ATOM     13  C   LIG    1       -0.658  -0.029  -0.249  0.00  0.00    +0.070 A 
ATOM     14  C   LIG    1       -1.077   1.299  -0.395  0.00  0.00    +0.031 A 
ATOM     15  C   LIG    1       -2.375   1.619  -0.830  0.00  0.00    -0.030 A 
ATOM     16  C   LIG    1       -2.770   3.062  -0.975  0.00  0.00    +0.045 C 
ATOM     17  C   LIG    1       -3.268   0.575  -1.102  0.00  0.00    +0.047 A 
ATOM     18 CL   LIG    1       -4.880   0.885  -1.646  0.00  0.00    -0.083 Cl
ATOM     19  C   LIG    1       -2.883  -0.758  -0.936  0.00  0.00    +0.067 A 
BRANCH  12  21
ATOM     20  C   LIG    1       -2.063  -3.393  -0.312  0.00  0.00    +0.277 C 
ATOM     21  O   LIG    1       -1.107  -2.339  -0.317  0.00  0.00    -0.493 OA
ENDBRANCH  12  21
ENDBRANCH   1  13
TORSDOF 3