REMARK  Name = BDB008563
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.152  -1.095  -0.084  0.00  0.00    -0.332 N 
ATOM      2  C   LIG    1        1.221  -1.844  -0.751  0.00  0.00    +0.141 A 
ATOM      3  C   LIG    1       -0.000  -1.671  -0.105  0.00  0.00    +0.024 A 
ATOM      4  C   LIG    1       -1.095  -2.383  -0.624  0.00  0.00    +0.013 A 
ATOM      5  C   LIG    1       -0.884  -3.188  -1.743  0.00  0.00    +0.024 A 
ATOM      6  C   LIG    1        0.389  -3.265  -2.306  0.00  0.00    +0.041 A 
ATOM      7  C   LIG    1        0.606  -4.135  -3.511  0.00  0.00    +0.065 C 
ATOM      8  C   LIG    1        0.207  -0.757   0.986  0.00  0.00    -0.001 A 
ATOM      9  N   LIG    1        1.472  -2.605  -1.836  0.00  0.00    -0.234 NA
ATOM     10  C   LIG    1        1.563  -0.454   0.976  0.00  0.00    +0.093 A 
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1       -0.836  -0.279   1.973  0.00  0.00    +0.106 C 
ATOM     12  C   LIG    1       -0.291   0.583   3.118  0.00  0.00    +0.033 C 
BRANCH  11  13
ATOM     13  N   LIG    1       -1.971   0.388   1.292  0.00  0.00    -0.289 N 
ATOM     14  C   LIG    1       -3.230  -0.219   1.419  0.00  0.00    +0.246 C 
ATOM     15  O   LIG    1       -3.370  -1.337   1.935  0.00  0.00    -0.273 OA
BRANCH  14  16
ATOM     16  C   LIG    1       -4.510   0.543   0.998  0.00  0.00    +0.217 C 
ATOM     17  O   LIG    1       -4.473   1.267  -0.225  0.00  0.00    -0.365 OA
ATOM     18  C   LIG    1       -5.756   1.800  -0.586  0.00  0.00    +0.176 C 
ATOM     19  C   LIG    1       -6.659   2.130   0.617  0.00  0.00    +0.109 C 
ATOM     20  N   LIG    1       -5.881   2.550   1.791  0.00  0.00    -0.311 NA
ATOM     21  H   LIG    1       -5.310   3.347   1.505  0.00  0.00    +0.122 HD
ATOM     22  C   LIG    1       -4.955   1.456   2.168  0.00  0.00    +0.122 C 
ENDBRANCH  14  16
BRANCH  13  23
ATOM     23  C   LIG    1       -1.803   1.736   0.779  0.00  0.00    +0.077 C 
ATOM     24  C   LIG    1       -1.774   1.986  -0.711  0.00  0.00    +0.024 C 
ATOM     25  C   LIG    1       -0.566   2.285   0.111  0.00  0.00    +0.024 C 
ENDBRANCH  13  23
ENDBRANCH  11  13
ENDBRANCH   8  11
BRANCH   1  26
ATOM     26  C   LIG    1        3.561  -1.006  -0.438  0.00  0.00    +0.123 C 
BRANCH  26  27
ATOM     27  C   LIG    1        3.809   0.064  -1.501  0.00  0.00    +0.024 C 
BRANCH  27  28
ATOM     28  C   LIG    1        5.236   0.071  -2.059  0.00  0.00    +0.030 C 
BRANCH  28  29
ATOM     29  C   LIG    1        6.298   0.520  -1.059  0.00  0.00    +0.159 C 
BRANCH  29  31
ATOM     30  C   LIG    1        7.485  -0.125   0.871  0.00  0.00    +0.193 C 
ATOM     31  O   LIG    1        6.481  -0.487  -0.069  0.00  0.00    -0.383 OA
ENDBRANCH  29  31
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH   1  26
TORSDOF 9