REMARK  Name = BDB003637
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.002  -2.253  -2.339  0.00  0.00    +0.045 C 
ATOM      2  C   LIG    1       -0.034  -1.477  -1.475  0.00  0.00    -0.021 A 
ATOM      3  C   LIG    1        1.320  -2.043  -1.345  0.00  0.00    +0.096 A 
ATOM      4  C   LIG    1        2.219  -1.437  -0.551  0.00  0.00    +0.137 A 
ATOM      5  N   LIG    1        3.536  -1.782  -0.262  0.00  0.00    -0.338 N 
ATOM      6  H   LIG    1        4.104  -2.275  -0.937  0.00  0.00    +0.167 HD
ATOM      7  C   LIG    1        4.063  -0.722   0.496  0.00  0.00    +0.065 A 
ATOM      8  C   LIG    1        3.033   0.201   0.789  0.00  0.00    +0.075 A 
ATOM      9  C   LIG    1        3.252   1.314   1.571  0.00  0.00    +0.028 A 
ATOM     10  C   LIG    1        4.541   1.486   2.087  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1        5.564   0.554   1.817  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1        5.326  -0.571   1.020  0.00  0.00    +0.028 A 
ATOM     13  N   LIG    1        1.879  -0.259   0.114  0.00  0.00    -0.260 N 
ATOM     14  C   LIG    1        0.654   0.363   0.054  0.00  0.00    +0.261 A 
ATOM     15  O   LIG    1        0.356   1.403   0.637  0.00  0.00    -0.267 OA
ATOM     16  C   LIG    1       -0.367  -0.335  -0.823  0.00  0.00    +0.022 A 
ENDROOT
BRANCH   3  17
ATOM     17  C   LIG    1        1.694  -3.229  -2.046  0.00  0.00    +0.103 C 
ATOM     18  N   LIG    1        2.008  -4.184  -2.626  0.00  0.00    -0.191 NA
ENDBRANCH   3  17
BRANCH  16  19
ATOM     19  C   LIG    1       -1.705   0.370  -0.906  0.00  0.00    +0.041 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.636  -0.050   0.237  0.00  0.00    +0.008 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -4.052   0.546   0.123  0.00  0.00    -0.017 C 
ATOM     22  C   LIG    1       -4.053   2.072   0.228  0.00  0.00    +0.007 C 
ATOM     23  C   LIG    1       -4.954  -0.046   1.209  0.00  0.00    +0.007 C 
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  16  19
TORSDOF 4