REMARK  Name = BDB002900
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.425  -0.443  -0.831  0.00  0.00    +0.074 A 
ATOM      2  C   LIG    1        1.425   0.492  -0.556  0.00  0.00    +0.067 A 
ATOM      3  C   LIG    1        1.606   1.935  -0.740  0.00  0.00    +0.235 C 
ATOM      4  C   LIG    1        0.667   2.841   0.027  0.00  0.00    +0.228 C 
ATOM      5  C   LIG    1       -0.661   2.289   0.331  0.00  0.00    +0.080 C 
ATOM      6  C   LIG    1       -0.933   0.975   0.229  0.00  0.00    +0.060 C 
ATOM      7  O   LIG    1        0.988   3.970   0.357  0.00  0.00    -0.284 OA
ATOM      8  O   LIG    1        2.428   2.402  -1.511  0.00  0.00    -0.283 OA
ATOM      9  C   LIG    1        0.186   0.032  -0.125  0.00  0.00    +0.097 A 
ATOM     10  N   LIG    1       -0.055  -1.298   0.029  0.00  0.00    -0.250 NA
ATOM     11  C   LIG    1        0.910  -2.196  -0.276  0.00  0.00    +0.040 A 
ATOM     12  C   LIG    1        0.579  -3.648  -0.111  0.00  0.00    +0.065 C 
ATOM     13  C   LIG    1        2.163  -1.808  -0.712  0.00  0.00    +0.038 A 
ENDROOT
BRANCH   6  14
ATOM     14  N   LIG    1       -2.240   0.503   0.469  0.00  0.00    -0.324 N 
ATOM     15  C   LIG    1       -2.914   0.776   1.765  0.00  0.00    +0.133 C 
ATOM     16  C   LIG    1       -4.438   0.812   1.578  0.00  0.00    +0.178 C 
ATOM     17  O   LIG    1       -4.929  -0.407   1.001  0.00  0.00    -0.377 OA
ATOM     18  C   LIG    1       -4.312  -0.630  -0.276  0.00  0.00    +0.178 C 
ATOM     19  C   LIG    1       -2.783  -0.730  -0.155  0.00  0.00    +0.133 C 
ENDBRANCH   6  14
BRANCH   1  20
ATOM     20  C   LIG    1        3.795  -0.066  -1.209  0.00  0.00    +0.340 C 
ATOM     21  O   LIG    1        4.374  -0.521  -2.179  0.00  0.00    -0.245 OA
BRANCH  20  23
ATOM     22  C   LIG    1        5.626   1.185  -0.504  0.00  0.00    +0.280 C 
ATOM     23  O   LIG    1        4.300   0.729  -0.237  0.00  0.00    -0.464 OA
ENDBRANCH  20  23
ENDBRANCH   1  20
TORSDOF 3