REMARK  Name = BDB027812
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.425  -1.252   0.600  0.00  0.00    +0.039 A 
ATOM      2  C   LIG    1        1.032  -2.240   1.431  0.00  0.00    +0.024 A 
ATOM      3  C   LIG    1        2.402  -2.107   1.725  0.00  0.00    +0.091 A 
ATOM      4  C   LIG    1        2.961  -3.070   2.551  0.00  0.00    +0.139 A 
ATOM      5  N   LIG    1        2.317  -4.137   3.091  0.00  0.00    -0.261 NA
ATOM      6  C   LIG    1        1.019  -4.258   2.775  0.00  0.00    +0.111 A 
ATOM      7  N   LIG    1        3.168  -1.114   1.241  0.00  0.00    -0.245 NA
ATOM      8  C   LIG    1        2.606  -0.204   0.417  0.00  0.00    +0.074 A 
ATOM      9  C   LIG    1        0.346  -3.357   1.966  0.00  0.00    +0.031 A 
ATOM     10  C   LIG    1        1.258  -0.265   0.071  0.00  0.00    +0.052 A 
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1        3.518   0.844  -0.087  0.00  0.00    +0.003 A 
ATOM     12  C   LIG    1        3.085   2.148  -0.365  0.00  0.00    +0.030 A 
ATOM     13  C   LIG    1        3.996   3.082  -0.839  0.00  0.00    +0.111 A 
ATOM     14  N   LIG    1        5.299   2.817  -1.055  0.00  0.00    -0.263 NA
ATOM     15  C   LIG    1        5.713   1.566  -0.773  0.00  0.00    +0.111 A 
ATOM     16  C   LIG    1        4.878   0.567  -0.297  0.00  0.00    +0.030 A 
ENDBRANCH   8  11
BRANCH   1  17
ATOM     17  N   LIG    1       -0.932  -1.364   0.287  0.00  0.00    -0.338 N 
ATOM     18  H   LIG    1       -1.453  -1.693   1.097  0.00  0.00    +0.147 HD
BRANCH  17  19
ATOM     19  C   LIG    1       -1.789  -0.532  -0.599  0.00  0.00    +0.029 C 
ATOM     20  C   LIG    1       -1.236  -0.554  -2.035  0.00  0.00    +0.031 C 
ATOM     21  C   LIG    1       -3.144  -1.274  -0.627  0.00  0.00    +0.031 C 
BRANCH  19  22
ATOM     22  C   LIG    1       -1.923   0.891   0.015  0.00  0.00    +0.059 C 
BRANCH  22  24
ATOM     23  C   LIG    1       -3.087   2.096  -1.956  0.00  0.00    +0.041 C 
ATOM     24  C   LIG    1       -3.005   1.899  -0.446  0.00  0.00    +0.062 C 
ATOM     25  C   LIG    1       -4.395   1.623   0.136  0.00  0.00    +0.041 C 
BRANCH  24  26
ATOM     26  O   LIG    1       -2.601   3.178   0.085  0.00  0.00    -0.389 OA
ATOM     27  H   LIG    1       -2.621   3.125   1.057  0.00  0.00    +0.210 HD
ENDBRANCH  24  26
ENDBRANCH  22  24
ENDBRANCH  19  22
ENDBRANCH  17  19
ENDBRANCH   1  17
TORSDOF 6