REMARK  Name = BDB032046
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.992  -0.463  -0.121  0.00  0.00    +0.221 A 
ATOM      2  N   LIG    1       -0.329  -0.254   0.043  0.00  0.00    -0.195 NA
ATOM      3  C   LIG    1       -1.113  -1.181  -0.511  0.00  0.00    +0.167 A 
ATOM      4  N   LIG    1       -2.516  -1.216  -0.502  0.00  0.00    -0.271 N 
ATOM      5  C   LIG    1       -2.944  -2.311  -1.290  0.00  0.00    +0.331 A 
ATOM      6  N   LIG    1       -1.772  -2.988  -1.690  0.00  0.00    -0.292 N 
ATOM      7  C   LIG    1       -1.714  -4.136  -2.548  0.00  0.00    +0.154 C 
ATOM      8  O   LIG    1       -4.086  -2.624  -1.577  0.00  0.00    -0.246 OA
ATOM      9  C   LIG    1       -0.673  -2.270  -1.224  0.00  0.00    +0.107 A 
ATOM     10  C   LIG    1        0.667  -2.412  -1.355  0.00  0.00    +0.144 A 
ATOM     11  N   LIG    1        1.512  -1.513  -0.803  0.00  0.00    -0.220 NA
ENDROOT
BRANCH   4  12
ATOM     12  C   LIG    1       -3.327  -0.110  -0.009  0.00  0.00    +0.130 C 
ATOM     13  C   LIG    1       -3.671   0.894  -1.114  0.00  0.00    +0.203 C 
ATOM     14  F   LIG    1       -4.433   0.290  -2.070  0.00  0.00    -0.242 F 
ATOM     15  C   LIG    1       -4.449   2.090  -0.538  0.00  0.00    +0.123 C 
ATOM     16  N   LIG    1       -5.455   1.770   0.496  0.00  0.00    -0.302 NA
ATOM     17  C   LIG    1       -5.090   2.287   1.811  0.00  0.00    +0.105 C 
ATOM     18  C   LIG    1       -5.785   0.343   0.521  0.00  0.00    +0.086 C 
ATOM     19  C   LIG    1       -4.579  -0.569   0.762  0.00  0.00    +0.043 C 
ENDBRANCH   4  12
BRANCH   1  20
ATOM     20  N   LIG    1        1.804   0.506   0.464  0.00  0.00    -0.283 N 
ATOM     21  H   LIG    1        1.211   1.176   0.929  0.00  0.00    +0.155 HD
BRANCH  20  24
ATOM     22  C   LIG    1        2.786   2.927   1.743  0.00  0.00    +0.046 C 
ATOM     23  C   LIG    1        3.694   1.845   1.218  0.00  0.00    -0.027 A 
ATOM     24  C   LIG    1        3.188   0.676   0.610  0.00  0.00    +0.037 A 
ATOM     25  C   LIG    1        4.120  -0.260   0.140  0.00  0.00    +0.033 A 
ATOM     26  C   LIG    1        5.509  -0.066   0.278  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1        6.005   1.094   0.895  0.00  0.00    +0.071 A 
ATOM     28  N   LIG    1        7.321   1.325   1.052  0.00  0.00    -0.255 NA
ATOM     29  C   LIG    1        8.186   0.395   0.591  0.00  0.00    +0.111 A 
ATOM     30  C   LIG    1        7.798  -0.777  -0.030  0.00  0.00    +0.020 A 
ATOM     31  C   LIG    1        6.437  -1.008  -0.188  0.00  0.00    +0.011 A 
ATOM     32  C   LIG    1        5.086   2.025   1.352  0.00  0.00    +0.033 A 
ENDBRANCH  20  24
ENDBRANCH   1  20
TORSDOF 3