REMARK  Name = BDB008647
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.842  -1.195   0.043  0.00  0.00    +0.226 A 
ATOM      2  C   LIG    1        1.745  -1.934  -1.133  0.00  0.00    +0.062 A 
ATOM      3  C   LIG    1        0.457  -2.375  -1.439  0.00  0.00    +0.078 A 
ATOM      4  C   LIG    1        0.278  -3.118  -2.600  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1        1.343  -3.426  -3.454  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        2.624  -2.982  -3.149  0.00  0.00    +0.001 A 
ATOM      7  N   LIG    1       -0.602  -2.106  -0.661  0.00  0.00    -0.230 NA
ATOM      8  C   LIG    1       -0.392  -1.382   0.458  0.00  0.00    +0.153 A 
ATOM      9  C   LIG    1        2.829  -2.236  -1.992  0.00  0.00    +0.015 A 
ATOM     10  N   LIG    1        0.805  -0.925   0.856  0.00  0.00    -0.196 NA
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1       -1.615  -1.073   1.322  0.00  0.00    +0.141 C 
ATOM     12  C   LIG    1       -1.619  -2.005   2.537  0.00  0.00    +0.036 C 
BRANCH  11  13
ATOM     13  N   LIG    1       -1.750   0.379   1.638  0.00  0.00    -0.286 N 
ATOM     14  C   LIG    1       -2.029   1.324   0.628  0.00  0.00    +0.247 C 
ATOM     15  O   LIG    1       -1.701   2.510   0.744  0.00  0.00    -0.273 OA
BRANCH  14  16
ATOM     16  C   LIG    1       -2.839   0.856  -0.606  0.00  0.00    +0.217 C 
ATOM     17  O   LIG    1       -2.674   1.776  -1.702  0.00  0.00    -0.365 OA
ATOM     18  C   LIG    1       -3.896   2.110  -2.366  0.00  0.00    +0.176 C 
ATOM     19  C   LIG    1       -4.792   0.877  -2.546  0.00  0.00    +0.109 C 
ATOM     20  N   LIG    1       -5.215   0.275  -1.268  0.00  0.00    -0.311 NA
ATOM     21  H   LIG    1       -5.200  -0.740  -1.370  0.00  0.00    +0.122 HD
ATOM     22  C   LIG    1       -4.314   0.688  -0.175  0.00  0.00    +0.122 C 
ENDBRANCH  14  16
BRANCH  13  23
ATOM     23  C   LIG    1       -1.062   0.862   2.828  0.00  0.00    +0.077 C 
ATOM     24  C   LIG    1       -1.635   0.659   4.211  0.00  0.00    +0.024 C 
ATOM     25  C   LIG    1       -1.585   2.032   3.629  0.00  0.00    +0.024 C 
ENDBRANCH  13  23
ENDBRANCH  11  13
ENDBRANCH   8  11
BRANCH   1  26
ATOM     26  O   LIG    1        3.096  -0.746   0.409  0.00  0.00    -0.476 OA
BRANCH  26  27
ATOM     27  C   LIG    1        3.067   0.341   1.331  0.00  0.00    +0.233 C 
BRANCH  27  28
ATOM     28  C   LIG    1        4.457   0.976   1.412  0.00  0.00    +0.069 C 
BRANCH  28  29
ATOM     29  C   LIG    1        4.843   1.716   0.132  0.00  0.00    +0.163 C 
BRANCH  29  31
ATOM     30  C   LIG    1        5.412   1.439  -2.138  0.00  0.00    +0.193 C 
ATOM     31  O   LIG    1        5.127   0.784  -0.910  0.00  0.00    -0.383 OA
ENDBRANCH  29  31
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH   1  26
TORSDOF 9