REMARK  Name = BDB062099
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.552  -1.783   0.712  0.00  0.00    +0.097 A 
ATOM      2  C   LIG    1        0.027  -0.533   0.405  0.00  0.00    +0.101 A 
ATOM      3  N   LIG    1        1.370  -0.318   0.538  0.00  0.00    -0.209 NA
ATOM      4  C   LIG    1        2.110  -1.369   0.944  0.00  0.00    +0.234 A 
ATOM      5  C   LIG    1        1.547  -2.601   1.219  0.00  0.00    +0.178 A 
ATOM      6  N   LIG    1        0.219  -2.838   1.109  0.00  0.00    -0.248 NA
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1       -4.763  -2.694   0.546  0.00  0.00    -0.048 A 
ATOM      8  C   LIG    1       -4.310  -1.577   1.254  0.00  0.00    +0.004 A 
ATOM      9  C   LIG    1       -2.945  -1.282   1.320  0.00  0.00    +0.010 A 
ATOM     10  C   LIG    1       -1.995  -2.084   0.665  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1       -2.463  -3.211  -0.033  0.00  0.00    +0.010 A 
ATOM     12  C   LIG    1       -3.827  -3.509  -0.099  0.00  0.00    +0.004 A 
BRANCH   7  14
ATOM     13  C   LIG    1       -6.887  -2.314  -0.730  0.00  0.00    +0.009 C 
ATOM     14  C   LIG    1       -6.236  -3.002   0.460  0.00  0.00    +0.032 C 
ENDBRANCH   7  14
ENDBRANCH   1  10
BRANCH   2  15
ATOM     15  C   LIG    1       -0.710   0.641  -0.100  0.00  0.00    +0.003 A 
ATOM     16  C   LIG    1       -1.550   0.563  -1.223  0.00  0.00    +0.010 A 
ATOM     17  C   LIG    1       -2.248   1.685  -1.683  0.00  0.00    +0.004 A 
ATOM     18  C   LIG    1       -2.109   2.920  -1.043  0.00  0.00    -0.048 A 
ATOM     19  C   LIG    1       -1.265   3.014   0.068  0.00  0.00    +0.004 A 
ATOM     20  C   LIG    1       -0.570   1.891   0.527  0.00  0.00    +0.010 A 
BRANCH  18  21
ATOM     21  C   LIG    1       -2.875   4.124  -1.528  0.00  0.00    +0.032 C 
ATOM     22  C   LIG    1       -4.239   4.229  -0.864  0.00  0.00    +0.009 C 
ENDBRANCH  18  21
ENDBRANCH   2  15
BRANCH   4  23
ATOM     23  O   LIG    1        3.474  -1.242   1.096  0.00  0.00    -0.475 OA
BRANCH  23  24
ATOM     24  C   LIG    1        3.964   0.056   0.744  0.00  0.00    +0.234 C 
BRANCH  24  25
ATOM     25  C   LIG    1        5.490   0.077   0.952  0.00  0.00    +0.029 C 
ATOM     26  C   LIG    1        6.219  -0.935   0.051  0.00  0.00    +0.022 C 
ATOM     27  C   LIG    1        6.270  -0.480  -1.408  0.00  0.00    +0.081 C 
ATOM     28  N   LIG    1        6.865   0.851  -1.541  0.00  0.00    -0.316 NA
ATOM     29  H   LIG    1        7.828   0.817  -1.205  0.00  0.00    +0.122 HD
ATOM     30  C   LIG    1        6.125   1.847  -0.765  0.00  0.00    +0.081 C 
ATOM     31  C   LIG    1        6.067   1.481   0.719  0.00  0.00    +0.022 C 
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH   4  23
TORSDOF 7