REMARK  Name = BDB023696
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.334  -1.442  -0.254  0.00  0.00    +0.227 C 
ATOM      2  N   LIG    1       -0.183  -1.178  -1.602  0.00  0.00    -0.288 N 
ATOM      3  C   LIG    1        1.146  -0.997  -2.200  0.00  0.00    +0.145 C 
ATOM      4  C   LIG    1        0.905  -0.872  -3.708  0.00  0.00    +0.063 C 
ATOM      5  C   LIG    1       -0.481  -1.472  -3.909  0.00  0.00    +0.134 C 
ATOM      6  C   LIG    1       -1.222  -1.100  -2.626  0.00  0.00    +0.139 C 
ATOM      7  O   LIG    1        0.663  -1.596   0.461  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1        1.771   0.251  -1.586  0.00  0.00    +0.158 C 
ATOM      9  N   LIG    1        2.623   0.155  -0.517  0.00  0.00    -0.289 N 
ATOM     10  H   LIG    1        2.315  -0.537   0.169  0.00  0.00    +0.151 HD
ATOM     11  C   LIG    1        2.780   1.508  -0.040  0.00  0.00    +0.204 C 
ATOM     12  C   LIG    1        2.164   1.724   1.334  0.00  0.00    +0.071 C 
ATOM     13  C   LIG    1        3.236   1.244   2.309  0.00  0.00    +0.006 C 
ATOM     14  C   LIG    1        4.567   1.321   1.556  0.00  0.00    +0.006 C 
ATOM     15  C   LIG    1        4.241   1.868   0.169  0.00  0.00    +0.071 C 
ATOM     16  O   LIG    1        2.161   2.333  -1.033  0.00  0.00    -0.366 OA
ATOM     17  N   LIG    1        1.468   1.471  -1.945  0.00  0.00    -0.070 NA
ENDBRANCH   3   8
BRANCH   5  18
ATOM     18  O   LIG    1       -0.380  -2.892  -4.034  0.00  0.00    -0.390 OA
ATOM     19  H   LIG    1       -0.070  -3.248  -3.183  0.00  0.00    +0.210 HD
ENDBRANCH   5  18
BRANCH   1  20
ATOM     20  C   LIG    1       -1.761  -1.524   0.317  0.00  0.00    +0.146 C 
BRANCH  20  25
ATOM     21  C   LIG    1       -3.397   3.304  -0.200  0.00  0.00    +0.069 C 
ATOM     22  C   LIG    1       -3.224   1.838  -0.106  0.00  0.00    +0.081 A 
ATOM     23  N   LIG    1       -4.252   1.019  -0.354  0.00  0.00    -0.083 NA
ATOM     24  O   LIG    1       -3.761  -0.262  -0.196  0.00  0.00    -0.359 OA
ATOM     25  C   LIG    1       -2.444  -0.207   0.146  0.00  0.00    +0.150 A 
ATOM     26  C   LIG    1       -2.057   1.111   0.216  0.00  0.00    +0.071 A 
ENDBRANCH  20  25
BRANCH  20  27
ATOM     27  C   LIG    1       -1.787  -2.034   1.786  0.00  0.00    +0.002 C 
ATOM     28  C   LIG    1       -1.311  -1.014   2.829  0.00  0.00    +0.008 C 
ATOM     29  C   LIG    1       -3.181  -2.542   2.173  0.00  0.00    +0.008 C 
ENDBRANCH  20  27
ENDBRANCH   1  20
TORSDOF 5