REMARK  Name = BDB020568
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.175   1.668   0.632  0.00  0.00    +0.041 C 
ATOM      2  C   LIG    1       -3.997   1.686  -0.336  0.00  0.00    +0.171 C 
ATOM      3  N   LIG    1       -2.882   0.907   0.176  0.00  0.00    -0.318 N 
ATOM      4  C   LIG    1       -1.853   1.476   0.878  0.00  0.00    +0.064 A 
ATOM      5  C   LIG    1       -1.010   0.430   1.179  0.00  0.00    +0.094 A 
ATOM      6  N   LIG    1       -1.497  -0.741   0.653  0.00  0.00    -0.232 NA
ATOM      7  C   LIG    1       -1.835   2.926   1.138  0.00  0.00    +0.163 C 
ATOM      8  N   LIG    1       -2.444   3.620   0.012  0.00  0.00    -0.297 N 
ATOM      9  C   LIG    1       -2.111   5.025  -0.143  0.00  0.00    +0.132 C 
ATOM     10  C   LIG    1       -2.631  -0.436   0.049  0.00  0.00    +0.115 A 
ATOM     11  C   LIG    1       -3.588   3.134  -0.617  0.00  0.00    +0.238 C 
ATOM     12  O   LIG    1       -4.282   3.835  -1.357  0.00  0.00    -0.273 OA
ENDROOT
BRANCH   5  13
ATOM     13  C   LIG    1        0.237   0.516   1.915  0.00  0.00    +0.011 A 
ATOM     14  C   LIG    1        1.466   0.083   1.346  0.00  0.00    +0.010 A 
ATOM     15  C   LIG    1        2.651   0.207   2.095  0.00  0.00    -0.013 A 
ATOM     16  C   LIG    1        3.869  -0.203   1.532  0.00  0.00    +0.052 A 
ATOM     17  C   LIG    1        3.919  -0.719   0.236  0.00  0.00    +0.122 A 
ATOM     18  N   LIG    1        2.794  -0.862  -0.488  0.00  0.00    -0.240 NA
ATOM     19  C   LIG    1        2.599   0.736   3.396  0.00  0.00    +0.009 A 
ATOM     20  C   LIG    1        1.390   1.145   3.955  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        1.618  -0.468   0.066  0.00  0.00    +0.122 A 
ATOM     22  C   LIG    1        0.214   1.036   3.219  0.00  0.00    +0.011 A 
BRANCH  17  23
ATOM     23  N   LIG    1        5.159  -1.127  -0.299  0.00  0.00    -0.311 N 
ATOM     24  C   LIG    1        6.102   0.000  -0.464  0.00  0.00    +0.134 C 
ATOM     25  C   LIG    1        7.446  -0.525  -0.997  0.00  0.00    +0.178 C 
ATOM     26  O   LIG    1        7.286  -1.244  -2.230  0.00  0.00    -0.377 OA
ATOM     27  C   LIG    1        6.394  -2.357  -2.041  0.00  0.00    +0.178 C 
ATOM     28  C   LIG    1        5.011  -1.894  -1.558  0.00  0.00    +0.134 C 
ENDBRANCH  17  23
ENDBRANCH   5  13
BRANCH  10  29
ATOM     29  C   LIG    1       -3.506  -1.402  -0.694  0.00  0.00    +0.060 C 
ATOM     30  C   LIG    1       -3.598  -2.747   0.030  0.00  0.00    +0.039 C 
ATOM     31  C   LIG    1       -4.508  -3.706  -0.733  0.00  0.00    +0.160 C 
ATOM     32  O   LIG    1       -4.593  -3.407  -2.129  0.00  0.00    -0.380 OA
ATOM     33  C   LIG    1       -3.345  -2.986  -2.668  0.00  0.00    +0.160 C 
ATOM     34  C   LIG    1       -2.987  -1.607  -2.126  0.00  0.00    +0.039 C 
ENDBRANCH  10  29
TORSDOF 3