REMARK  Name = BDB031242
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.171  -0.243  -0.456  0.00  0.00    +0.118 A 
ATOM      2  N   LIG    1       -1.035   0.508  -0.152  0.00  0.00    -0.296 N 
ATOM      3  C   LIG    1       -1.462   1.818   0.051  0.00  0.00    +0.074 A 
ATOM      4  C   LIG    1       -2.843   1.766  -0.110  0.00  0.00    +0.090 A 
ATOM      5  C   LIG    1       -3.611   2.932   0.045  0.00  0.00    +0.030 A 
ATOM      6  C   LIG    1       -2.969   4.128   0.379  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1       -1.589   4.161   0.569  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -0.810   3.008   0.419  0.00  0.00    +0.028 A 
ATOM      9  N   LIG    1       -3.261   0.502  -0.405  0.00  0.00    -0.232 NA
ENDROOT
BRANCH   2  10
ATOM     10  C   LIG    1        0.310   0.053  -0.060  0.00  0.00    +0.050 A 
ATOM     11  C   LIG    1        1.336   0.809  -0.648  0.00  0.00    +0.054 A 
ATOM     12  C   LIG    1        2.616   0.321  -0.519  0.00  0.00    +0.069 A 
ATOM     13  N   LIG    1        3.808   0.848  -1.003  0.00  0.00    -0.306 N 
ATOM     14  H   LIG    1        3.935   1.690  -1.540  0.00  0.00    +0.170 HD
ATOM     15  C   LIG    1        4.867   0.003  -0.628  0.00  0.00    +0.327 A 
ATOM     16  N   LIG    1        4.291  -1.056   0.100  0.00  0.00    -0.295 N 
ATOM     17  C   LIG    1        5.002  -2.158   0.678  0.00  0.00    +0.154 C 
ATOM     18  O   LIG    1        6.044   0.180  -0.895  0.00  0.00    -0.247 OA
ATOM     19  C   LIG    1        2.907  -0.860   0.163  0.00  0.00    +0.069 A 
ATOM     20  C   LIG    1        1.918  -1.614   0.754  0.00  0.00    +0.030 A 
ATOM     21  C   LIG    1        0.602  -1.146   0.639  0.00  0.00    +0.028 A 
ENDBRANCH   2  10
BRANCH   1  23
ATOM     22  C   LIG    1       -2.839  -1.782  -2.301  0.00  0.00    +0.015 C 
ATOM     23  C   LIG    1       -2.179  -1.677  -0.922  0.00  0.00    +0.049 C 
ATOM     24  C   LIG    1       -2.918  -2.560   0.085  0.00  0.00    +0.015 C 
ENDBRANCH   1  23
TORSDOF 2