REMARK  Name = BDB019122
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.312   1.879  -1.040  0.00  0.00    +0.174 A 
ATOM      2  C   LIG    1       -0.876   0.627  -0.605  0.00  0.00    +0.092 A 
ATOM      3  N   LIG    1        0.512   0.689  -0.658  0.00  0.00    -0.270 N 
ATOM      4  C   LIG    1        1.367  -0.374  -0.289  0.00  0.00    +0.202 A 
ATOM      5  N   LIG    1        0.843  -1.487   0.145  0.00  0.00    -0.223 NA
ATOM      6  C   LIG    1       -0.528  -1.581   0.191  0.00  0.00    +0.125 A 
ATOM      7  C   LIG    1        0.850   1.937  -1.099  0.00  0.00    +0.207 A 
ATOM      8  C   LIG    1       -1.412  -0.618  -0.153  0.00  0.00    +0.030 A 
ATOM      9  N   LIG    1       -0.206   2.665  -1.356  0.00  0.00    -0.228 NA
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1       -2.826  -1.004  -0.044  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1       -3.582  -0.900   1.119  0.00  0.00    +0.050 A 
ATOM     12  C   LIG    1       -3.013  -0.319   2.381  0.00  0.00    +0.066 C 
ATOM     13  N   LIG    1       -4.875  -1.303   1.184  0.00  0.00    -0.237 NA
ATOM     14  C   LIG    1       -5.418  -1.828   0.069  0.00  0.00    +0.126 A 
ATOM     15  C   LIG    1       -6.856  -2.239   0.125  0.00  0.00    +0.088 C 
ATOM     16  N   LIG    1       -4.775  -1.964  -1.103  0.00  0.00    -0.240 NA
ATOM     17  C   LIG    1       -3.491  -1.551  -1.128  0.00  0.00    +0.123 A 
ENDBRANCH   8  10
BRANCH   1  18
ATOM     18  C   LIG    1       -2.664   2.437  -1.190  0.00  0.00    +0.360 C 
ATOM     19  O   LIG    1       -2.890   3.505  -1.750  0.00  0.00    -0.243 OA
BRANCH  18  20
ATOM     20  O   LIG    1       -3.635   1.667  -0.629  0.00  0.00    -0.460 OA
BRANCH  20  22
ATOM     21  C   LIG    1       -5.611   1.798  -2.031  0.00  0.00    +0.048 C 
ATOM     22  C   LIG    1       -4.975   2.174  -0.706  0.00  0.00    +0.229 C 
ENDBRANCH  20  22
ENDBRANCH  18  20
ENDBRANCH   1  18
BRANCH   4  23
ATOM     23  N   LIG    1        2.732  -0.205  -0.390  0.00  0.00    -0.310 N 
ATOM     24  H   LIG    1        3.068   0.459  -1.079  0.00  0.00    +0.149 HD
BRANCH  23  25
ATOM     25  C   LIG    1        3.636  -1.331  -0.220  0.00  0.00    +0.143 C 
BRANCH  25  26
ATOM     26  C   LIG    1        5.048  -0.829  -0.140  0.00  0.00    +0.012 A 
ATOM     27  C   LIG    1        5.531  -0.143   0.972  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1        4.835   0.272   2.214  0.00  0.00    +0.080 C 
ATOM     29  C   LIG    1        6.048   0.685   3.049  0.00  0.00    +0.234 C 
ATOM     30  O   LIG    1        7.144   1.006   2.162  0.00  0.00    -0.491 OA
ATOM     31  C   LIG    1        6.833   0.338   1.007  0.00  0.00    +0.124 A 
ATOM     32  C   LIG    1        7.710   0.169  -0.046  0.00  0.00    +0.049 A 
ATOM     33  C   LIG    1        7.252  -0.521  -1.168  0.00  0.00    +0.042 A 
ATOM     34  C   LIG    1        5.938  -1.009  -1.206  0.00  0.00    +0.129 A 
ATOM     35  F   LIG    1        5.528  -1.651  -2.310  0.00  0.00    -0.205 F 
ENDBRANCH  25  26
ENDBRANCH  23  25
ENDBRANCH   4  23
TORSDOF 7