REMARK  Name = BDB022229
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.792   1.131   0.342  0.00  0.00    +0.042 A 
ATOM      2  C   LIG    1       -0.314   1.215   0.169  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1        0.346   2.444   0.363  0.00  0.00    +0.054 A 
ATOM      4  C   LIG    1        1.744   2.496   0.238  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1        2.483   1.359  -0.101  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1        1.849   0.145  -0.350  0.00  0.00    +0.032 A 
ATOM      7  N   LIG    1       -0.412   3.618   0.651  0.00  0.00    -0.311 N 
ATOM      8  C   LIG    1        0.255   4.897   0.831  0.00  0.00    +0.152 C 
ATOM      9  C   LIG    1       -1.794   3.592   0.704  0.00  0.00    +0.253 A 
ATOM     10  O   LIG    1       -2.507   4.577   0.892  0.00  0.00    -0.268 OA
ATOM     11  C   LIG    1        0.454   0.092  -0.210  0.00  0.00    +0.035 A 
ATOM     12  C   LIG    1       -2.451   2.278   0.551  0.00  0.00    +0.093 A 
ENDROOT
BRANCH   1  13
ATOM     13  N   LIG    1       -2.395  -0.117   0.275  0.00  0.00    -0.332 N 
ATOM     14  H   LIG    1       -1.794  -0.905   0.507  0.00  0.00    +0.147 HD
BRANCH  13  16
ATOM     15  C   LIG    1       -4.125  -0.440   1.984  0.00  0.00    +0.038 C 
ATOM     16  C   LIG    1       -3.808  -0.466   0.486  0.00  0.00    +0.154 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -4.151  -1.831  -0.057  0.00  0.00    +0.215 A 
ATOM     18  O   LIG    1       -5.393  -1.986  -0.615  0.00  0.00    -0.446 OA
ATOM     19  C   LIG    1       -5.414  -3.289  -1.010  0.00  0.00    +0.217 A 
ATOM     20  C   LIG    1       -4.210  -3.856  -0.677  0.00  0.00    +0.152 A 
ATOM     21  N   LIG    1       -3.408  -2.926  -0.065  0.00  0.00    -0.220 NA
ENDBRANCH  16  17
ENDBRANCH  13  16
ENDBRANCH   1  13
BRANCH   6  22
ATOM     22  N   LIG    1        2.544  -1.033  -0.683  0.00  0.00    -0.313 N 
ATOM     23  H   LIG    1        1.989  -1.670  -1.252  0.00  0.00    +0.152 HD
BRANCH  22  24
ATOM     24  C   LIG    1        3.874  -1.440  -0.429  0.00  0.00    +0.053 A 
ATOM     25  C   LIG    1        4.564  -2.284  -1.320  0.00  0.00    +0.110 A 
ATOM     26  C   LIG    1        5.883  -2.607  -1.027  0.00  0.00    +0.148 A 
ATOM     27 CL   LIG    1        6.848  -3.628  -2.026  0.00  0.00    -0.061 Cl
ATOM     28  N   LIG    1        6.556  -2.164   0.059  0.00  0.00    -0.242 NA
ATOM     29  C   LIG    1        5.881  -1.359   0.898  0.00  0.00    +0.114 A 
ATOM     30  C   LIG    1        4.566  -0.973   0.696  0.00  0.00    +0.044 A 
BRANCH  25  31
ATOM     31  C   LIG    1        3.931  -2.795  -2.494  0.00  0.00    +0.104 C 
ATOM     32  N   LIG    1        3.368  -3.198  -3.425  0.00  0.00    -0.191 NA
ENDBRANCH  25  31
ENDBRANCH  22  24
ENDBRANCH   6  22
TORSDOF 6