REMARK  Name = BDB007295
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.528   0.417   2.746  0.00  0.00    +0.171 C 
ATOM      2  N   LIG    1        1.734  -0.114   1.391  0.00  0.00    -0.283 N 
ATOM      3  N   LIG    1        1.670   0.886   0.348  0.00  0.00    -0.246 N 
ATOM      4  C   LIG    1        2.850   0.883  -0.409  0.00  0.00    +0.276 A 
ATOM      5  O   LIG    1        3.054   1.490  -1.447  0.00  0.00    -0.266 OA
ATOM      6  C   LIG    1        3.781  -0.060   0.211  0.00  0.00    +0.078 A 
ATOM      7  C   LIG    1        5.088  -0.434  -0.075  0.00  0.00    +0.051 A 
ATOM      8  C   LIG    1        5.645  -1.444   0.736  0.00  0.00    +0.014 A 
ATOM      9  C   LIG    1        4.917  -2.043   1.774  0.00  0.00    +0.003 A 
ATOM     10  C   LIG    1        3.610  -1.642   2.037  0.00  0.00    +0.028 A 
ATOM     11  C   LIG    1        3.048  -0.639   1.256  0.00  0.00    +0.071 A 
ENDROOT
BRANCH   3  12
ATOM     12  C   LIG    1        0.395   1.079  -0.359  0.00  0.00    +0.111 C 
ATOM     13  C   LIG    1       -0.734   1.650   0.507  0.00  0.00    +0.042 C 
ATOM     14  C   LIG    1       -1.740   0.571   0.899  0.00  0.00    +0.087 C 
ATOM     15  N   LIG    1       -2.381  -0.085  -0.251  0.00  0.00    -0.299 NA
ATOM     16  C   LIG    1       -1.528  -0.116  -1.452  0.00  0.00    +0.087 C 
ATOM     17  C   LIG    1       -0.043  -0.189  -1.112  0.00  0.00    +0.042 C 
BRANCH  15  18
ATOM     18  C   LIG    1       -3.737   0.406  -0.536  0.00  0.00    +0.057 C 
ATOM     19  C   LIG    1       -4.429  -0.292  -1.716  0.00  0.00    +0.019 C 
ATOM     20  C   LIG    1       -5.897   0.086  -1.561  0.00  0.00    +0.002 C 
ATOM     21  C   LIG    1       -6.116   0.280  -0.063  0.00  0.00    +0.002 C 
ATOM     22  C   LIG    1       -4.744   0.128   0.590  0.00  0.00    +0.019 C 
ENDBRANCH  15  18
ENDBRANCH   3  12
BRANCH   7  23
ATOM     23  C   LIG    1        5.978   0.117  -1.136  0.00  0.00    +0.242 C 
ATOM     24  O   LIG    1        7.093  -0.361  -1.326  0.00  0.00    -0.270 OA
ATOM     25  N   LIG    1        5.570   1.167  -1.897  0.00  0.00    -0.325 N 
ATOM     26  H   LIG    1        4.609   1.505  -1.921  0.00  0.00    +0.145 HD
ATOM     27  H   LIG    1        6.169   1.446  -2.661  0.00  0.00    +0.145 HD
ENDBRANCH   7  23
TORSDOF 3