REMARK  Name = BDB027052
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.444   0.303   0.196  0.00  0.00    +0.156 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.451  -1.177   0.557  0.00  0.00    -0.023 A 
ATOM      3  C   LIG    1       -0.027  -2.175  -0.336  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1       -0.058  -3.522   0.035  0.00  0.00    +0.000 A 
ATOM      5  C   LIG    1       -0.524  -3.891   1.294  0.00  0.00    +0.000 A 
ATOM      6  C   LIG    1       -0.968  -2.916   2.184  0.00  0.00    +0.000 A 
ATOM      7  C   LIG    1       -0.936  -1.570   1.817  0.00  0.00    +0.005 A 
ENDBRANCH   1   2
BRANCH   1   8
ATOM      8  C   LIG    1        0.627   0.734  -0.848  0.00  0.00    +0.186 C 
ATOM      9  O   LIG    1        0.291   1.248  -1.920  0.00  0.00    -0.290 OA
BRANCH   8  16
ATOM     10  N   LIG    1        3.946   0.122   0.597  0.00  0.00    -0.346 N 
ATOM     11  C   LIG    1        4.343   0.534  -0.656  0.00  0.00    +0.050 A 
ATOM     12  C   LIG    1        3.178   0.825  -1.375  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1        3.310   1.274  -2.708  0.00  0.00    +0.011 A 
ATOM     14  C   LIG    1        4.580   1.419  -3.276  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1        5.720   1.125  -2.538  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1        2.054   0.572  -0.516  0.00  0.00    +0.045 A 
ATOM     17  C   LIG    1        5.623   0.678  -1.218  0.00  0.00    +0.026 A 
ATOM     18  C   LIG    1        2.578   0.149   0.693  0.00  0.00    +0.098 A 
BRANCH  10  20
ATOM     19  C   LIG    1        5.323   0.867   2.505  0.00  0.00    +0.027 C 
ATOM     20  C   LIG    1        4.829  -0.302   1.671  0.00  0.00    +0.118 C 
ENDBRANCH  10  20
ENDBRANCH   8  16
ENDBRANCH   1   8
BRANCH   1  21
ATOM     21  N   LIG    1       -1.795   0.827  -0.162  0.00  0.00    -0.303 NA
ATOM     22  H   LIG    1       -1.656   1.768  -0.537  0.00  0.00    +0.123 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -2.499   0.035  -1.182  0.00  0.00    +0.086 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -3.785   0.734  -1.658  0.00  0.00    +0.050 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -4.872   0.791  -0.609  0.00  0.00    -0.046 A 
ATOM     26  C   LIG    1       -5.086   1.961   0.133  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1       -6.083   2.009   1.109  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1       -6.869   0.884   1.350  0.00  0.00    +0.041 A 
ATOM     29 CL   LIG    1       -8.097   0.942   2.555  0.00  0.00    -0.084 Cl
ATOM     30  C   LIG    1       -6.667  -0.287   0.624  0.00  0.00    +0.020 A 
ATOM     31  C   LIG    1       -5.669  -0.334  -0.352  0.00  0.00    +0.005 A 
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   1  21
TORSDOF 8