REMARK  Name = BDB002541
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.568  -1.115   0.149  0.00  0.00    -0.321 N 
ATOM      2  C   LIG    1       -1.182  -2.345   0.255  0.00  0.00    +0.069 A 
ATOM      3  C   LIG    1       -0.170  -3.255  -0.028  0.00  0.00    +0.090 A 
ATOM      4  C   LIG    1       -0.450  -4.629  -0.013  0.00  0.00    +0.030 A 
ATOM      5  C   LIG    1       -1.749  -5.050   0.292  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -2.750  -4.120   0.579  0.00  0.00    +0.002 A 
ATOM      7  N   LIG    1        1.011  -2.611  -0.280  0.00  0.00    -0.228 NA
ATOM      8  C   LIG    1       -2.488  -2.745   0.569  0.00  0.00    +0.028 A 
ATOM      9  C   LIG    1        0.759  -1.317  -0.186  0.00  0.00    +0.142 A 
ENDROOT
BRANCH   9  10
ATOM     10  C   LIG    1        1.773  -0.274  -0.352  0.00  0.00    +0.018 A 
ATOM     11  C   LIG    1        2.946  -0.334   0.411  0.00  0.00    +0.015 A 
ATOM     12  C   LIG    1        3.940   0.643   0.281  0.00  0.00    +0.046 A 
ATOM     13  C   LIG    1        3.776   1.690  -0.625  0.00  0.00    +0.120 A 
ATOM     14  C   LIG    1        2.617   1.742  -1.403  0.00  0.00    +0.046 A 
ATOM     15  C   LIG    1        1.625   0.765  -1.275  0.00  0.00    +0.015 A 
BRANCH  13  16
ATOM     16  O   LIG    1        4.662   2.707  -0.850  0.00  0.00    -0.495 OA
ATOM     17  C   LIG    1        5.876   2.676  -0.110  0.00  0.00    +0.277 C 
ENDBRANCH  13  16
ENDBRANCH   9  10
BRANCH   1  18
ATOM     18  C   LIG    1       -1.213   0.151   0.439  0.00  0.00    +0.152 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.114   0.624  -0.699  0.00  0.00    +0.181 C 
BRANCH  19  20
ATOM     20  O   LIG    1       -2.559   1.966  -0.493  0.00  0.00    -0.378 OA
BRANCH  20  22
ATOM     21  C   LIG    1       -4.064   3.522   0.509  0.00  0.00    +0.034 C 
ATOM     22  C   LIG    1       -3.661   2.064   0.406  0.00  0.00    +0.156 C 
ENDBRANCH  20  22
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 6