REMARK  Name = BDB055104
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.147  -1.499   1.977  0.00  0.00    +0.077 A 
ATOM      2  C   LIG    1        1.128  -1.104   1.563  0.00  0.00    +0.108 A 
ATOM      3  C   LIG    1        2.284  -1.343   2.288  0.00  0.00    +0.180 A 
ATOM      4  N   LIG    1        3.387  -0.851   1.648  0.00  0.00    -0.208 NA
ATOM      5  C   LIG    1        2.929  -0.311   0.536  0.00  0.00    +0.144 A 
ATOM      6  N   LIG    1        2.292  -1.984   3.475  0.00  0.00    -0.233 NA
ATOM      7  C   LIG    1        1.065  -2.372   3.893  0.00  0.00    +0.135 A 
ATOM      8  N   LIG    1        1.569  -0.444   0.446  0.00  0.00    -0.335 N 
ATOM      9  H   LIG    1        0.977  -0.120  -0.304  0.00  0.00    +0.167 HD
ATOM     10  C   LIG    1       -0.141  -2.168   3.216  0.00  0.00    +0.082 A 
ATOM     11 CL   LIG    1       -1.585  -2.758   3.962  0.00  0.00    -0.080 Cl
ENDROOT
BRANCH   1  15
ATOM     12  N   LIG    1       -4.125  -0.972   0.404  0.00  0.00    -0.294 NA
ATOM     13  C   LIG    1       -3.210   0.176   0.641  0.00  0.00    +0.103 C 
ATOM     14  C   LIG    1       -2.090  -0.103   1.668  0.00  0.00    +0.120 C 
ATOM     15  N   LIG    1       -1.236  -1.200   1.166  0.00  0.00    -0.325 N 
ATOM     16  C   LIG    1       -1.969  -2.354   0.599  0.00  0.00    +0.120 C 
ATOM     17  C   LIG    1       -3.498  -2.249   0.809  0.00  0.00    +0.103 C 
BRANCH  12  18
ATOM     18  C   LIG    1       -4.569  -1.017  -1.003  0.00  0.00    +0.143 C 
BRANCH  18  23
ATOM     19  C   LIG    1       -8.124   2.641  -1.392  0.00  0.00    +0.089 C 
ATOM     20  C   LIG    1       -6.986   1.708  -1.452  0.00  0.00    +0.135 A 
ATOM     21  O   LIG    1       -6.002   2.012  -2.339  0.00  0.00    -0.360 OA
ATOM     22  N   LIG    1       -5.009   1.050  -2.276  0.00  0.00    -0.082 NA
ATOM     23  C   LIG    1       -5.410   0.175  -1.342  0.00  0.00    +0.098 A 
ATOM     24  C   LIG    1       -6.660   0.549  -0.794  0.00  0.00    +0.072 A 
ENDBRANCH  18  23
ENDBRANCH  12  18
ENDBRANCH   1  15
BRANCH   5  25
ATOM     25  C   LIG    1        3.816   0.378  -0.524  0.00  0.00    +0.055 A 
ATOM     26  C   LIG    1        5.180   0.516  -0.445  0.00  0.00    +0.120 A 
ATOM     27  N   LIG    1        5.557   1.177  -1.579  0.00  0.00    -0.268 N 
ATOM     28  N   LIG    1        4.516   1.475  -2.389  0.00  0.00    -0.179 NA
ATOM     29  C   LIG    1        3.458   0.985  -1.738  0.00  0.00    +0.146 A 
BRANCH  27  30
ATOM     30  C   LIG    1        6.908   1.567  -1.970  0.00  0.00    +0.101 C 
ATOM     31  C   LIG    1        7.515   2.556  -0.976  0.00  0.00    +0.032 C 
ATOM     32  C   LIG    1        7.808   0.348  -2.166  0.00  0.00    +0.032 C 
ENDBRANCH  27  30
ENDBRANCH   5  25
TORSDOF 5