REMARK  Name = BDB023703
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.580  -0.810  -1.439  0.00  0.00    +0.227 C 
ATOM      2  N   LIG    1        0.453  -1.502  -0.843  0.00  0.00    -0.289 N 
ATOM      3  C   LIG    1        0.564  -1.956   0.546  0.00  0.00    +0.139 C 
ATOM      4  C   LIG    1        1.470  -3.184   0.466  0.00  0.00    +0.062 C 
ATOM      5  C   LIG    1        2.397  -2.861  -0.701  0.00  0.00    +0.134 C 
ATOM      6  C   LIG    1        1.466  -2.139  -1.673  0.00  0.00    +0.139 C 
ATOM      7  O   LIG    1       -0.608  -0.666  -2.665  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1        1.219  -0.900   1.438  0.00  0.00    +0.109 C 
ATOM      9  N   LIG    1        1.909   0.184   0.939  0.00  0.00    -0.320 N 
ATOM     10  H   LIG    1        1.529   0.653   0.122  0.00  0.00    +0.148 HD
ATOM     11  C   LIG    1        2.341   0.996   2.081  0.00  0.00    +0.106 C 
ATOM     12  C   LIG    1        3.856   1.131   2.070  0.00  0.00    +0.041 C 
ATOM     13  C   LIG    1        1.631   2.338   2.119  0.00  0.00    +0.041 C 
ATOM     14  C   LIG    1        1.868   0.097   3.247  0.00  0.00    +0.260 C 
ATOM     15  O   LIG    1        2.060   0.324   4.433  0.00  0.00    -0.271 OA
ATOM     16  N   LIG    1        1.188  -1.001   2.739  0.00  0.00    -0.166 NA
ENDBRANCH   3   8
BRANCH   5  17
ATOM     17  O   LIG    1        2.938  -4.055  -1.239  0.00  0.00    -0.390 OA
ATOM     18  H   LIG    1        3.508  -3.813  -1.989  0.00  0.00    +0.210 HD
ENDBRANCH   5  17
BRANCH   1  19
ATOM     19  C   LIG    1       -1.674  -0.203  -0.548  0.00  0.00    +0.146 C 
BRANCH  19  24
ATOM     20  C   LIG    1       -1.514   4.737  -1.902  0.00  0.00    +0.069 C 
ATOM     21  C   LIG    1       -1.480   3.420  -1.229  0.00  0.00    +0.081 A 
ATOM     22  N   LIG    1       -1.141   3.331   0.063  0.00  0.00    -0.083 NA
ATOM     23  O   LIG    1       -1.215   1.988   0.380  0.00  0.00    -0.359 OA
ATOM     24  C   LIG    1       -1.577   1.279  -0.722  0.00  0.00    +0.150 A 
ATOM     25  C   LIG    1       -1.763   2.149  -1.771  0.00  0.00    +0.071 A 
ENDBRANCH  19  24
BRANCH  19  26
ATOM     26  C   LIG    1       -3.070  -0.755  -0.934  0.00  0.00    +0.002 C 
ATOM     27  C   LIG    1       -4.181  -0.142  -0.072  0.00  0.00    +0.008 C 
ATOM     28  C   LIG    1       -3.123  -2.282  -0.789  0.00  0.00    +0.008 C 
ENDBRANCH  19  26
ENDBRANCH   1  19
TORSDOF 5