REMARK  Name = BDB022101
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.660   1.237   1.596  0.00  0.00    +0.078 A 
ATOM      2  C   LIG    1        1.232   0.768   0.427  0.00  0.00    +0.063 A 
ATOM      3  N   LIG    1        2.279  -0.070   0.794  0.00  0.00    -0.201 N 
ATOM      4  N   LIG    1        2.445  -0.075   2.154  0.00  0.00    -0.171 NA
ATOM      5  C   LIG    1        1.489   0.731   2.612  0.00  0.00    +0.148 A 
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        3.114  -0.878  -0.063  0.00  0.00    +0.252 A 
ATOM      7  N   LIG    1        4.099  -1.601   0.512  0.00  0.00    -0.210 NA
ATOM      8  C   LIG    1        4.870  -2.359  -0.291  0.00  0.00    +0.083 A 
ATOM      9  C   LIG    1        4.684  -2.416  -1.656  0.00  0.00    +0.049 A 
ATOM     10  C   LIG    1        3.654  -1.658  -2.155  0.00  0.00    +0.117 A 
ATOM     11  N   LIG    1        2.858  -0.892  -1.390  0.00  0.00    -0.219 NA
BRANCH   8  12
ATOM     12  C   LIG    1        5.943  -3.117   0.370  0.00  0.00    +0.038 A 
ATOM     13  S   LIG    1        5.743  -3.682   1.984  0.00  0.00    -0.095 S 
ATOM     14  C   LIG    1        7.286  -4.413   2.003  0.00  0.00    +0.046 A 
ATOM     15  C   LIG    1        7.952  -4.244   0.812  0.00  0.00    +0.008 A 
ATOM     16  C   LIG    1        7.179  -3.500  -0.128  0.00  0.00    +0.017 A 
ENDBRANCH   8  12
ENDBRANCH   3   6
BRANCH   1  18
ATOM     17  N   LIG    1       -1.751   1.578   1.607  0.00  0.00    -0.296 N 
ATOM     18  C   LIG    1       -0.472   2.122   1.764  0.00  0.00    +0.250 C 
ATOM     19  O   LIG    1       -0.285   3.301   2.057  0.00  0.00    -0.270 OA
BRANCH  17  20
ATOM     20  C   LIG    1       -2.888   2.491   1.716  0.00  0.00    +0.105 C 
ATOM     21  C   LIG    1       -3.041   3.392   0.500  0.00  0.00    +0.024 C 
ENDBRANCH  17  20
BRANCH  17  22
ATOM     22  C   LIG    1       -2.041   0.137   1.542  0.00  0.00    +0.123 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -2.522  -0.377   0.163  0.00  0.00    +0.103 C 
BRANCH  23  24
ATOM     24  N   LIG    1       -3.868   0.063  -0.283  0.00  0.00    -0.301 NA
BRANCH  24  26
ATOM     25  C   LIG    1       -3.284   0.654  -2.656  0.00  0.00    +0.020 C 
ATOM     26  C   LIG    1       -4.065  -0.260  -1.715  0.00  0.00    +0.081 C 
ENDBRANCH  24  26
BRANCH  24  27
ATOM     27  C   LIG    1       -4.925  -0.573   0.529  0.00  0.00    +0.081 C 
ATOM     28  C   LIG    1       -6.256   0.169   0.432  0.00  0.00    +0.020 C 
ENDBRANCH  24  27
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  17  22
ENDBRANCH   1  18
BRANCH   2  29
ATOM     29  C   LIG    1        0.783   1.120  -1.023  0.00  0.00    +0.039 C 
ATOM     30  C   LIG    1        0.342   2.516  -1.378  0.00  0.00    +0.010 C 
ATOM     31  C   LIG    1        1.672   2.016  -1.849  0.00  0.00    +0.010 C 
ENDBRANCH   2  29
TORSDOF 10