REMARK  Name = BDB003720
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.680  -2.992   0.149  0.00  0.00    -0.267 OA
ATOM      2  C   LIG    1       -1.637  -1.794   0.444  0.00  0.00    +0.283 C 
ATOM      3  N   LIG    1       -1.343  -1.405   1.767  0.00  0.00    -0.283 N 
ENDROOT
BRANCH   2   4
ATOM      4  C   LIG    1       -1.889  -0.803  -0.596  0.00  0.00    +0.192 A 
ATOM      5  O   LIG    1       -2.138   0.511  -0.306  0.00  0.00    -0.429 OA
ATOM      6  C   LIG    1       -2.343   1.147  -1.488  0.00  0.00    +0.280 A 
ATOM      7  C   LIG    1       -2.259   0.281  -2.550  0.00  0.00    +0.076 A 
ATOM      8  C   LIG    1       -1.975  -0.981  -1.972  0.00  0.00    +0.057 A 
BRANCH   6   9
ATOM      9  N   LIG    1       -2.595   2.551  -1.417  0.00  0.00    +0.093 N 
ATOM     10  O   LIG    1       -2.788   3.129  -2.495  0.00  0.00    -0.123 OA
ATOM     11  O   LIG    1       -2.594   3.078  -0.297  0.00  0.00    -0.123 OA
ENDBRANCH   6   9
ENDBRANCH   2   4
BRANCH   3  12
ATOM     12  C   LIG    1       -1.092  -2.458   2.738  0.00  0.00    +0.077 C 
ATOM     13  C   LIG    1       -2.175  -3.434   3.127  0.00  0.00    +0.024 C 
ATOM     14  C   LIG    1       -1.696  -2.424   4.121  0.00  0.00    +0.024 C 
ENDBRANCH   3  12
BRANCH   3  15
ATOM     15  C   LIG    1       -0.892  -0.063   2.172  0.00  0.00    +0.206 C 
BRANCH  15  16
ATOM     16  C   LIG    1        0.513   0.171   1.752  0.00  0.00    +0.235 A 
ATOM     17  O   LIG    1        0.734   0.646   0.486  0.00  0.00    -0.419 OA
ATOM     18  C   LIG    1        2.104   0.748   0.455  0.00  0.00    +0.250 A 
ATOM     19  N   LIG    1        2.655   0.365   1.588  0.00  0.00    -0.107 NA
ATOM     20  N   LIG    1        1.628  -0.011   2.428  0.00  0.00    -0.110 NA
BRANCH  18  21
ATOM     21  C   LIG    1        2.690   1.235  -0.788  0.00  0.00    +0.057 A 
ATOM     22  C   LIG    1        3.896   1.954  -0.831  0.00  0.00    +0.053 A 
ATOM     23 CL   LIG    1        4.788   2.385   0.587  0.00  0.00    -0.083 Cl
ATOM     24  C   LIG    1        4.421   2.390  -2.056  0.00  0.00    +0.021 A 
ATOM     25  C   LIG    1        3.755   2.117  -3.249  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1        2.560   1.408  -3.226  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1        2.033   0.971  -2.008  0.00  0.00    +0.015 A 
ENDBRANCH  18  21
ENDBRANCH  15  16
ENDBRANCH   3  15
TORSDOF 6