REMARK  Name = BDB028205
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.443  -0.489  -0.123  0.00  0.00    +0.003 A 
ATOM      2  C   LIG    1        0.786   0.188  -0.186  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1        1.976  -0.515  -0.413  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1        1.939  -1.898  -0.560  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1        3.197  -2.634  -0.766  0.00  0.00    +0.272 A 
ATOM      6  N   LIG    1        4.343  -1.879  -0.783  0.00  0.00    -0.242 N 
ATOM      7  H   LIG    1        5.221  -2.370  -0.920  0.00  0.00    +0.192 HD
ATOM      8  N   LIG    1        4.415  -0.525  -0.665  0.00  0.00    -0.174 NA
ATOM      9  O   LIG    1        3.210  -3.852  -0.910  0.00  0.00    -0.266 OA
ATOM     10  C   LIG    1        0.723  -2.586  -0.502  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1        3.307   0.139  -0.501  0.00  0.00    +0.083 A 
ATOM     12  C   LIG    1       -0.463  -1.880  -0.288  0.00  0.00    +0.011 A 
ENDROOT
BRANCH   1  15
ATOM     13  C   LIG    1       -1.638   2.150  -1.674  0.00  0.00    +0.068 C 
ATOM     14  C   LIG    1       -2.195   1.382  -0.535  0.00  0.00    +0.067 A 
ATOM     15  C   LIG    1       -1.681   0.257   0.101  0.00  0.00    +0.096 A 
ATOM     16  N   LIG    1       -2.618  -0.047   1.075  0.00  0.00    -0.211 N 
ATOM     17  C   LIG    1       -3.624   0.901   0.982  0.00  0.00    +0.155 A 
ATOM     18  C   LIG    1       -4.699   0.802   1.892  0.00  0.00    +0.051 A 
ATOM     19  C   LIG    1       -4.701  -0.185   2.796  0.00  0.00    +0.045 A 
ATOM     20  C   LIG    1       -3.553  -1.129   2.779  0.00  0.00    +0.150 A 
ATOM     21 CL   LIG    1       -3.521  -2.418   3.927  0.00  0.00    -0.060 Cl
ATOM     22  N   LIG    1       -2.546  -1.083   1.965  0.00  0.00    -0.153 NA
ATOM     23  N   LIG    1       -3.393   1.766   0.023  0.00  0.00    -0.231 NA
ENDBRANCH   1  15
BRANCH  11  24
ATOM     24  C   LIG    1        3.417   1.658  -0.397  0.00  0.00    +0.136 C 
BRANCH  24  25
ATOM     25  N   LIG    1        3.316   2.053   1.009  0.00  0.00    -0.325 NA
ATOM     26  H   LIG    1        4.066   1.588   1.526  0.00  0.00    +0.119 HD
ATOM     27  H   LIG    1        3.513   3.051   1.086  0.00  0.00    +0.119 HD
ENDBRANCH  24  25
ENDBRANCH  11  24
TORSDOF 3