REMARK  Name = BDB036423
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.118  -0.950   0.027  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1       -2.304  -2.126  -0.682  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1       -3.107  -3.012  -0.466  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1       -1.328  -2.117  -1.777  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1       -0.633  -0.907  -1.739  0.00  0.00    -0.013 A 
ATOM      6  C   LIG    1        0.343  -0.624  -2.690  0.00  0.00    -0.025 A 
ATOM      7  C   LIG    1        0.608  -1.615  -3.655  0.00  0.00    +0.005 A 
ATOM      8  C   LIG    1       -0.102  -2.831  -3.675  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -1.090  -3.091  -2.727  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1       -1.130  -0.079  -0.597  0.00  0.00    +0.145 C 
ENDROOT
BRANCH   1  17
ATOM     11  O   LIG    1       -5.052   2.304   3.333  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1       -4.490   1.429   2.679  0.00  0.00    +0.219 C 
ATOM     13  N   LIG    1       -4.837   1.190   1.374  0.00  0.00    -0.255 N 
ATOM     14  H   LIG    1       -5.509   1.837   0.984  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1       -4.100   0.487   0.447  0.00  0.00    +0.240 C 
ATOM     16  O   LIG    1       -4.295   0.657  -0.755  0.00  0.00    -0.273 OA
ATOM     17  C   LIG    1       -3.065  -0.489   1.034  0.00  0.00    +0.163 C 
ATOM     18  C   LIG    1       -2.376   0.172   2.224  0.00  0.00    +0.041 C 
ATOM     19  C   LIG    1       -3.417   0.544   3.268  0.00  0.00    +0.098 C 
ENDBRANCH   1  17
BRANCH   6  20
ATOM     20  C   LIG    1        1.107   0.670  -2.683  0.00  0.00    +0.140 C 
BRANCH  20  21
ATOM     21  N   LIG    1        2.225   0.600  -1.770  0.00  0.00    -0.307 N 
ATOM     22  H   LIG    1        2.970  -0.049  -1.997  0.00  0.00    +0.149 HD
ATOM     23  C   LIG    1        2.264   1.298  -0.587  0.00  0.00    +0.247 C 
ATOM     24  O   LIG    1        1.360   2.046  -0.227  0.00  0.00    -0.270 OA
BRANCH  23  25
ATOM     25  C   LIG    1        3.457   1.112   0.285  0.00  0.00    +0.075 A 
ATOM     26  C   LIG    1        4.516   0.257  -0.040  0.00  0.00    +0.136 A 
ATOM     27  F   LIG    1        4.510  -0.452  -1.179  0.00  0.00    -0.205 F 
ATOM     28  C   LIG    1        5.612   0.112   0.811  0.00  0.00    +0.042 A 
ATOM     29  C   LIG    1        5.660   0.828   2.006  0.00  0.00    +0.041 A 
ATOM     30  C   LIG    1        4.610   1.679   2.333  0.00  0.00    +0.124 A 
ATOM     31  F   LIG    1        4.655   2.366   3.481  0.00  0.00    -0.205 F 
ATOM     32  C   LIG    1        3.514   1.828   1.489  0.00  0.00    +0.054 A 
ENDBRANCH  23  25
ENDBRANCH  20  21
ENDBRANCH   6  20
TORSDOF 4