REMARK  Name = BDB010802
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.434  -1.207   1.728  0.00  0.00    +0.149 A 
ATOM      2  C   LIG    1        0.453  -1.256   0.654  0.00  0.00    +0.128 A 
ATOM      3  C   LIG    1        1.612  -2.008   0.768  0.00  0.00    +0.184 A 
ATOM      4  N   LIG    1        2.306  -2.035  -0.402  0.00  0.00    -0.212 NA
ATOM      5  C   LIG    1        1.629  -1.282  -1.244  0.00  0.00    +0.116 A 
ATOM      6  N   LIG    1        1.994  -2.660   1.874  0.00  0.00    -0.200 NA
ATOM      7  C   LIG    1        1.129  -2.505   2.882  0.00  0.00    +0.242 A 
ATOM      8  N   LIG    1        0.537  -0.703  -0.609  0.00  0.00    -0.323 N 
ATOM      9  N   LIG    1       -0.041  -1.828   2.857  0.00  0.00    -0.205 NA
ENDROOT
BRANCH   5  10
ATOM     10  C   LIG    1        1.998  -1.094  -2.698  0.00  0.00    +0.055 C 
ATOM     11  C   LIG    1        1.372  -2.224  -3.539  0.00  0.00    +0.011 C 
ATOM     12  C   LIG    1        2.136  -2.448  -4.838  0.00  0.00    +0.001 C 
ATOM     13  C   LIG    1        3.582  -2.875  -4.579  0.00  0.00    +0.000 C 
ATOM     14  C   LIG    1        4.155  -2.331  -3.269  0.00  0.00    +0.001 C 
ATOM     15  C   LIG    1        3.528  -0.995  -2.885  0.00  0.00    +0.011 C 
ENDBRANCH   5  10
BRANCH   1  16
ATOM     16  N   LIG    1       -1.670  -0.576   1.675  0.00  0.00    -0.324 N 
ATOM     17  H   LIG    1       -2.140  -0.736   0.793  0.00  0.00    +0.148 HD
BRANCH  16  19
ATOM     18  C   LIG    1       -3.312  -2.030   2.777  0.00  0.00    +0.028 C 
ATOM     19  C   LIG    1       -2.566  -0.696   2.833  0.00  0.00    +0.072 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.512   0.523   2.829  0.00  0.00    +0.009 C 
ATOM     21  C   LIG    1       -4.600   0.667   1.732  0.00  0.00    +0.005 C 
ATOM     22  C   LIG    1       -5.654   0.244   2.770  0.00  0.00    +0.001 C 
ATOM     23  C   LIG    1       -4.650   0.601   3.880  0.00  0.00    +0.005 C 
ENDBRANCH  19  20
ENDBRANCH  16  19
ENDBRANCH   1  16
BRANCH   7  24
ATOM     24  C   LIG    1        1.460  -3.172   4.191  0.00  0.00    +0.375 C 
ATOM     25  O   LIG    1        0.780  -3.170   5.205  0.00  0.00    -0.242 OA
BRANCH  24  26
ATOM     26  O   LIG    1        2.645  -3.826   4.181  0.00  0.00    -0.475 OA
ATOM     27  H   LIG    1        2.720  -4.200   5.082  0.00  0.00    +0.296 HD
ENDBRANCH  24  26
ENDBRANCH   7  24
BRANCH   8  28
ATOM     28  C   LIG    1       -0.351   0.284  -1.195  0.00  0.00    +0.127 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -0.032   1.775  -0.928  0.00  0.00    +0.009 C 
ATOM     30  C   LIG    1        1.376   2.210  -1.373  0.00  0.00    +0.005 C 
ATOM     31  C   LIG    1        1.930   3.416  -0.608  0.00  0.00    +0.003 C 
ATOM     32  C   LIG    1        0.861   4.419  -0.170  0.00  0.00    -0.014 C 
ATOM     33  C   LIG    1        0.280   5.178  -1.367  0.00  0.00    +0.007 C 
ATOM     34  C   LIG    1       -0.239   3.742   0.665  0.00  0.00    +0.003 C 
ATOM     35  C   LIG    1       -0.309   2.217   0.510  0.00  0.00    +0.005 C 
ENDBRANCH  28  29
ENDBRANCH   8  28
TORSDOF 8