REMARK  Name = BDB013222
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.314  -0.162   0.104  0.00  0.00    +0.047 A 
ATOM      2  C   LIG    1       -1.655  -1.360  -0.270  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1       -0.299  -1.420  -0.055  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1        0.089  -2.642  -0.522  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1       -0.957  -3.302  -0.966  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1        0.439  -0.376   0.520  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1       -0.179   0.724   0.861  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1       -2.060  -2.492  -0.807  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1       -1.542   0.800   0.653  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  14
ATOM     10  C   LIG    1       -7.992   0.599  -0.093  0.00  0.00    +0.065 C 
ATOM     11  C   LIG    1       -6.503   0.424  -0.085  0.00  0.00    +0.038 A 
ATOM     12  N   LIG    1       -5.987  -0.451   0.805  0.00  0.00    -0.260 NA
ATOM     13  C   LIG    1       -4.642  -0.611   0.803  0.00  0.00    +0.120 A 
ATOM     14  C   LIG    1       -3.762   0.075  -0.033  0.00  0.00    +0.008 A 
ATOM     15  C   LIG    1       -4.318   0.968  -0.965  0.00  0.00    -0.039 A 
ATOM     16  C   LIG    1       -3.474   1.747  -1.935  0.00  0.00    +0.044 C 
ATOM     17  C   LIG    1       -5.710   1.143  -0.975  0.00  0.00    +0.027 A 
ENDBRANCH   1  14
BRANCH   6  18
ATOM     18  N   LIG    1        1.797  -0.538   0.703  0.00  0.00    -0.310 N 
ATOM     19  H   LIG    1        2.147  -1.486   0.791  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1        2.562   0.414   1.492  0.00  0.00    +0.143 C 
BRANCH  20  21
ATOM     21  C   LIG    1        4.028   0.143   1.314  0.00  0.00    +0.012 A 
ATOM     22  C   LIG    1        4.702   0.449   0.135  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1        4.194   1.018  -1.137  0.00  0.00    +0.080 C 
ATOM     24  C   LIG    1        5.526   1.335  -1.815  0.00  0.00    +0.234 C 
ATOM     25  O   LIG    1        6.559   0.502  -1.240  0.00  0.00    -0.491 OA
ATOM     26  C   LIG    1        6.052   0.156  -0.015  0.00  0.00    +0.124 A 
ATOM     27  C   LIG    1        6.789  -0.450   0.982  0.00  0.00    +0.049 A 
ATOM     28  C   LIG    1        6.137  -0.760   2.175  0.00  0.00    +0.042 A 
ATOM     29  C   LIG    1        4.775  -0.465   2.330  0.00  0.00    +0.129 A 
ATOM     30  F   LIG    1        4.178  -0.798   3.483  0.00  0.00    -0.205 F 
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 4