REMARK  Name = BDB037025
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.143  -0.544  -0.407  0.00  0.00    -0.222 N 
ATOM      2  C   LIG    1       -1.616   0.573  -0.998  0.00  0.00    +0.256 C 
ATOM      3  O   LIG    1       -1.786   1.743  -0.706  0.00  0.00    -0.269 OA
ATOM      4  C   LIG    1       -0.705   0.113  -2.047  0.00  0.00    +0.070 A 
ATOM      5  C   LIG    1       -0.673  -1.269  -1.978  0.00  0.00    +0.051 A 
ATOM      6  C   LIG    1        0.121  -2.030  -2.810  0.00  0.00    +0.014 A 
ATOM      7  C   LIG    1        0.898  -1.341  -3.742  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1        0.863   0.070  -3.813  0.00  0.00    +0.024 A 
ATOM      9  C   LIG    1        0.067   0.837  -2.947  0.00  0.00    +0.040 A 
ATOM     10  C   LIG    1       -1.585  -1.682  -0.916  0.00  0.00    +0.255 C 
ATOM     11  O   LIG    1       -1.778  -2.837  -0.590  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  18
ATOM     12  O   LIG    1       -4.022  -4.032   2.674  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1       -3.730  -2.970   2.130  0.00  0.00    +0.219 C 
ATOM     14  N   LIG    1       -4.574  -2.399   1.212  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1       -5.374  -2.966   0.964  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -4.311  -1.348   0.370  0.00  0.00    +0.240 C 
ATOM     17  O   LIG    1       -5.006  -1.154  -0.626  0.00  0.00    -0.273 OA
ATOM     18  C   LIG    1       -3.090  -0.491   0.698  0.00  0.00    +0.171 C 
ATOM     19  C   LIG    1       -2.499  -0.781   2.074  0.00  0.00    +0.041 C 
ATOM     20  C   LIG    1       -2.424  -2.262   2.398  0.00  0.00    +0.098 C 
ENDBRANCH   1  18
BRANCH   9  21
ATOM     21  N   LIG    1       -0.015   2.236  -3.028  0.00  0.00    -0.338 N 
ATOM     22  H   LIG    1       -0.585   2.606  -2.259  0.00  0.00    +0.146 HD
BRANCH  21  23
ATOM     23  C   LIG    1        1.261   2.968  -3.111  0.00  0.00    +0.160 C 
BRANCH  23  24
ATOM     24  C   LIG    1        2.224   2.765  -1.987  0.00  0.00    +0.100 A 
ATOM     25  N   LIG    1        3.543   2.470  -2.222  0.00  0.00    -0.133 NA
ATOM     26  N   LIG    1        4.136   2.268  -1.054  0.00  0.00    -0.065 NA
ATOM     27  N   LIG    1        3.204   2.417  -0.096  0.00  0.00    -0.247 N 
ATOM     28  C   LIG    1        2.000   2.773  -0.626  0.00  0.00    +0.135 A 
BRANCH  27  29
ATOM     29  C   LIG    1        3.533   2.172   1.297  0.00  0.00    +0.180 C 
BRANCH  29  30
ATOM     30  C   LIG    1        2.755   1.006   1.866  0.00  0.00    -0.026 A 
ATOM     31  C   LIG    1        1.996   1.169   3.037  0.00  0.00    +0.008 A 
ATOM     32  C   LIG    1        1.288   0.092   3.574  0.00  0.00    +0.038 A 
ATOM     33  C   LIG    1        1.337  -1.146   2.946  0.00  0.00    +0.123 A 
ATOM     34  F   LIG    1        0.645  -2.171   3.458  0.00  0.00    -0.205 F 
ATOM     35  C   LIG    1        2.086  -1.333   1.791  0.00  0.00    +0.038 A 
ATOM     36  C   LIG    1        2.801  -0.261   1.255  0.00  0.00    +0.008 A 
ENDBRANCH  29  30
ENDBRANCH  27  29
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   9  21
TORSDOF 6