REMARK  Name = BDB036224
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -3.230  -0.853  -1.851  0.00  0.00    -0.326 N 
ATOM      2  C   LIG    1       -1.932  -0.241  -2.195  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1       -0.871  -0.528  -1.110  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1       -0.661  -1.964  -0.798  0.00  0.00    -0.295 NA
ATOM      5  C   LIG    1       -1.714  -2.807  -1.404  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1       -3.133  -2.209  -1.253  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1       -6.431   1.455  -0.480  0.00  0.00    +0.125 A 
ATOM      8  N   LIG    1       -5.200   2.031  -0.497  0.00  0.00    -0.249 NA
ATOM      9  C   LIG    1       -4.182   1.250  -0.948  0.00  0.00    +0.134 A 
ATOM     10  C   LIG    1       -4.292  -0.077  -1.382  0.00  0.00    +0.048 A 
ATOM     11  C   LIG    1       -5.592  -0.606  -1.339  0.00  0.00    +0.027 A 
ATOM     12  C   LIG    1       -6.672   0.153  -0.885  0.00  0.00    +0.035 A 
BRANCH   7  16
ATOM     13  C   LIG    1       -8.100   4.527   0.955  0.00  0.00    +0.128 C 
ATOM     14  N   LIG    1       -7.191   3.596   0.346  0.00  0.00    -0.313 N 
ATOM     15  H   LIG    1       -6.194   3.795   0.308  0.00  0.00    +0.149 HD
ATOM     16  C   LIG    1       -7.559   2.308   0.015  0.00  0.00    +0.262 C 
ATOM     17  O   LIG    1       -8.700   1.871   0.116  0.00  0.00    -0.269 OA
ENDBRANCH   7  16
ENDBRANCH   1  10
BRANCH   4  18
ATOM     18  C   LIG    1        0.673  -2.442  -1.192  0.00  0.00    +0.122 C 
BRANCH  18  19
ATOM     19  C   LIG    1        1.782  -1.885  -0.329  0.00  0.00    +0.004 A 
ATOM     20  C   LIG    1        2.946  -1.377  -0.911  0.00  0.00    +0.153 A 
ATOM     21  F   LIG    1        3.069  -1.355  -2.248  0.00  0.00    -0.203 F 
ATOM     22  C   LIG    1        3.989  -0.884  -0.124  0.00  0.00    +0.104 A 
ATOM     23  C   LIG    1        3.894  -0.893   1.270  0.00  0.00    +0.091 A 
ATOM     24  N   LIG    1        4.918  -0.404   2.099  0.00  0.00    -0.244 NA
ATOM     25  C   LIG    1        5.998   0.070   1.541  0.00  0.00    +0.109 A 
ATOM     26  C   LIG    1        6.191   0.112   0.015  0.00  0.00    +0.271 A 
ATOM     27  O   LIG    1        7.210   0.553  -0.493  0.00  0.00    -0.266 OA
ATOM     28  C   LIG    1        2.740  -1.411   1.860  0.00  0.00    +0.030 A 
ATOM     29  N   LIG    1        5.146  -0.378  -0.726  0.00  0.00    -0.317 N 
ATOM     30  H   LIG    1        5.234  -0.369  -1.734  0.00  0.00    +0.169 HD
ATOM     31  C   LIG    1        1.696  -1.908   1.072  0.00  0.00    +0.010 A 
BRANCH  25  32
ATOM     32  C   LIG    1        7.107   0.605   2.435  0.00  0.00    +0.037 C 
ATOM     33  C   LIG    1        8.392  -0.202   2.288  0.00  0.00    +0.014 C 
ATOM     34  C   LIG    1        7.333   2.098   2.221  0.00  0.00    +0.014 C 
ENDBRANCH  25  32
ENDBRANCH  18  19
ENDBRANCH   4  18
TORSDOF 5