REMARK  Name = BDB052666
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.198  -0.939  -1.428  0.00  0.00    -0.022 A 
ATOM      2  C   LIG    1       -1.696  -2.184  -0.930  0.00  0.00    +0.003 A 
ATOM      3  C   LIG    1       -3.055  -2.017  -0.642  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1       -3.838  -3.066  -0.132  0.00  0.00    +0.026 A 
ATOM      5  C   LIG    1       -3.225  -4.303   0.090  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -1.876  -4.492  -0.187  0.00  0.00    +0.001 A 
ATOM      7  N   LIG    1       -3.370  -0.709  -0.954  0.00  0.00    -0.342 N 
ATOM      8  C   LIG    1       -1.103  -3.444  -0.696  0.00  0.00    +0.010 A 
ATOM      9  C   LIG    1       -2.262  -0.060  -1.438  0.00  0.00    +0.090 A 
ENDROOT
BRANCH   1  10
ATOM     10  C   LIG    1        0.204  -0.634  -1.850  0.00  0.00    +0.046 C 
BRANCH  10  11
ATOM     11  C   LIG    1        1.071  -0.229  -0.661  0.00  0.00    +0.101 C 
BRANCH  11  13
ATOM     12  O   LIG    1        2.869   0.014  -2.242  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1        2.494   0.092  -1.078  0.00  0.00    +0.218 C 
ATOM     14  N   LIG    1        3.266   0.467   0.012  0.00  0.00    -0.285 N 
ATOM     15  H   LIG    1        2.799   0.477   0.910  0.00  0.00    +0.155 HD
BRANCH  14  16
ATOM     16  C   LIG    1        4.626   0.840   0.016  0.00  0.00    +0.034 A 
ATOM     17  C   LIG    1        5.190   1.178   1.254  0.00  0.00    +0.025 A 
ATOM     18  C   LIG    1        6.532   1.561   1.351  0.00  0.00    +0.034 A 
ATOM     19  C   LIG    1        7.320   1.606   0.196  0.00  0.00    +0.126 A 
ATOM     20  C   LIG    1        6.771   1.272  -1.046  0.00  0.00    +0.034 A 
ATOM     21  C   LIG    1        5.426   0.890  -1.129  0.00  0.00    +0.025 A 
BRANCH  19  22
ATOM     22  N   LIG    1        8.730   2.007   0.289  0.00  0.00    +0.056 N 
ATOM     23  O   LIG    1        9.384   2.066  -0.761  0.00  0.00    -0.126 OA
ATOM     24  O   LIG    1        9.182   2.263   1.415  0.00  0.00    -0.126 OA
ENDBRANCH  19  22
ENDBRANCH  14  16
ENDBRANCH  11  13
ENDBRANCH  10  11
ENDBRANCH   1  10
BRANCH   7  25
ATOM     25  C   LIG    1       -4.686  -0.090  -0.837  0.00  0.00    +0.157 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -4.763   0.842   0.349  0.00  0.00    -0.028 A 
ATOM     27  C   LIG    1       -4.761   0.339   1.660  0.00  0.00    +0.007 A 
ATOM     28  C   LIG    1       -4.829   1.205   2.754  0.00  0.00    +0.020 A 
ATOM     29  C   LIG    1       -4.898   2.580   2.545  0.00  0.00    +0.041 A 
ATOM     30 CL   LIG    1       -4.978   3.646   3.893  0.00  0.00    -0.084 Cl
ATOM     31  C   LIG    1       -4.900   3.097   1.252  0.00  0.00    +0.020 A 
ATOM     32  C   LIG    1       -4.832   2.231   0.157  0.00  0.00    +0.007 A 
ENDBRANCH  25  26
ENDBRANCH   7  25
TORSDOF 7