REMARK  Name = BDB046286
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.218  -0.558   0.796  0.00  0.00    +0.126 A 
ATOM      2  N   LIG    1        0.691  -0.060  -0.072  0.00  0.00    -0.230 NA
ATOM      3  C   LIG    1        1.950   0.162   0.387  0.00  0.00    +0.097 A 
ATOM      4  C   LIG    1        2.326  -0.102   1.704  0.00  0.00    +0.068 A 
ATOM      5  N   LIG    1        3.636   0.144   2.131  0.00  0.00    -0.320 N 
ATOM      6  H   LIG    1        3.911  -0.046   3.086  0.00  0.00    +0.169 HD
ATOM      7  C   LIG    1        4.621   0.649   1.312  0.00  0.00    +0.257 A 
ATOM      8  C   LIG    1        4.255   0.943  -0.102  0.00  0.00    +0.049 A 
ATOM      9  C   LIG    1        5.231   1.458  -0.966  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1        4.908   1.740  -2.292  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1        3.615   1.508  -2.754  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        2.641   0.994  -1.892  0.00  0.00    +0.011 A 
ATOM     13  O   LIG    1        5.754   0.847   1.736  0.00  0.00    -0.267 OA
ATOM     14  C   LIG    1        1.383  -0.612   2.583  0.00  0.00    +0.031 A 
ATOM     15  C   LIG    1        2.942   0.702  -0.550  0.00  0.00    +0.015 A 
ATOM     16  C   LIG    1        0.088  -0.844   2.120  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1  18
ATOM     17  C   LIG    1       -2.628  -1.211   0.815  0.00  0.00    +0.232 C 
ATOM     18  N   LIG    1       -1.474  -0.746   0.221  0.00  0.00    -0.269 N 
ATOM     19  H   LIG    1       -1.497  -0.459  -0.747  0.00  0.00    +0.156 HD
ATOM     20  O   LIG    1       -2.738  -1.565   1.986  0.00  0.00    -0.274 OA
BRANCH  17  21
ATOM     21  C   LIG    1       -3.817  -1.256  -0.157  0.00  0.00    +0.180 C 
BRANCH  21  23
ATOM     22  C   LIG    1       -5.972  -0.327  -0.700  0.00  0.00    +0.105 C 
ATOM     23  N   LIG    1       -4.729  -0.111   0.043  0.00  0.00    -0.300 NA
ATOM     24  C   LIG    1       -4.124   1.161  -0.348  0.00  0.00    +0.105 C 
ENDBRANCH  21  23
ENDBRANCH  17  21
ENDBRANCH   1  18
TORSDOF 3