REMARK  Name = BDB016203
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.815  -0.172   1.892  0.00  0.00    +0.005 A 
ATOM      2  C   LIG    1        1.876   0.454   1.146  0.00  0.00    +0.058 A 
ATOM      3  N   LIG    1        1.775   0.396  -0.252  0.00  0.00    -0.339 N 
ATOM      4  H   LIG    1        1.221  -0.404  -0.557  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1        2.869   0.656  -1.171  0.00  0.00    +0.076 C 
ATOM      6  C   LIG    1        3.326   2.089  -1.069  0.00  0.00    +0.118 C 
ATOM      7  C   LIG    1        4.247   2.328   0.078  0.00  0.00    +0.219 C 
ATOM      8  N   LIG    1        3.946   1.895   1.323  0.00  0.00    -0.283 N 
ATOM      9  H   LIG    1        4.626   2.233   2.000  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1        5.281   2.983  -0.080  0.00  0.00    -0.275 OA
ATOM     11  C   LIG    1        3.962  -0.407  -1.087  0.00  0.00    +0.028 C 
ATOM     12  C   LIG    1        2.880   1.142   1.870  0.00  0.00    +0.074 A 
ATOM     13  C   LIG    1        2.868   1.084   3.289  0.00  0.00    +0.064 A 
ATOM     14 CL   LIG    1        4.107   1.857   4.232  0.00  0.00    -0.082 Cl
ATOM     15  C   LIG    1        1.867   0.426   3.995  0.00  0.00    +0.022 A 
ATOM     16  C   LIG    1        0.838  -0.184   3.298  0.00  0.00    +0.012 A 
ENDROOT
BRANCH   1  20
ATOM     17  C   LIG    1       -2.550  -2.073  -0.051  0.00  0.00    +0.036 A 
ATOM     18  C   LIG    1       -2.375  -0.670  -0.113  0.00  0.00    +0.017 A 
ATOM     19  C   LIG    1       -1.290  -0.062   0.542  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1       -0.335  -0.824   1.231  0.00  0.00    -0.015 A 
ATOM     21  C   LIG    1       -0.492  -2.213   1.262  0.00  0.00    +0.010 A 
ATOM     22  C   LIG    1       -1.576  -2.826   0.624  0.00  0.00    +0.024 A 
BRANCH  17  24
ATOM     23  C   LIG    1       -4.226  -3.857  -0.147  0.00  0.00    +0.125 C 
ATOM     24  N   LIG    1       -3.587  -2.710  -0.769  0.00  0.00    -0.346 N 
ATOM     25  H   LIG    1       -4.287  -1.985  -1.010  0.00  0.00    +0.146 HD
ENDBRANCH  17  24
BRANCH  18  26
ATOM     26  C   LIG    1       -3.345   0.198  -0.845  0.00  0.00    +0.044 C 
ATOM     27  N   LIG    1       -4.566  -0.173  -1.079  0.00  0.00    -0.303 NA
ATOM     28  H   LIG    1       -5.067   0.570  -1.581  0.00  0.00    +0.186 HD
BRANCH  26  29
ATOM     29  C   LIG    1       -2.934   1.548  -1.319  0.00  0.00    +0.038 C 
ATOM     30  C   LIG    1       -3.177   1.954  -2.757  0.00  0.00    +0.010 C 
ATOM     31  C   LIG    1       -1.779   1.702  -2.284  0.00  0.00    +0.010 C 
ENDBRANCH  26  29
ENDBRANCH  18  26
ENDBRANCH   1  20
TORSDOF 4