REMARK  Name = BDB031801
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.875  -0.427  -0.192  0.00  0.00    +0.154 A 
ATOM      2  C   LIG    1        0.665   0.123  -0.726  0.00  0.00    +0.041 A 
ATOM      3  C   LIG    1       -0.220  -0.944  -0.800  0.00  0.00    +0.068 A 
ATOM      4  C   LIG    1       -1.530  -0.824  -1.278  0.00  0.00    +0.031 A 
ATOM      5  C   LIG    1       -1.988   0.444  -1.685  0.00  0.00    -0.041 A 
ATOM      6  C   LIG    1       -1.091   1.525  -1.631  0.00  0.00    +0.005 A 
ATOM      7  N   LIG    1        0.482  -2.015  -0.328  0.00  0.00    -0.275 N 
ATOM      8  H   LIG    1        0.163  -2.972  -0.236  0.00  0.00    +0.189 HD
ATOM      9  C   LIG    1        0.223   1.388  -1.156  0.00  0.00    +0.014 A 
ATOM     10  N   LIG    1        1.730  -1.731   0.060  0.00  0.00    -0.157 NA
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -3.397   0.617  -2.202  0.00  0.00    +0.040 C 
ATOM     12  C   LIG    1       -4.612   0.391  -1.325  0.00  0.00    +0.081 C 
ATOM     13  C   LIG    1       -4.592  -0.020   0.122  0.00  0.00    -0.010 A 
ATOM     14  C   LIG    1       -5.670  -0.899   0.331  0.00  0.00    +0.040 A 
ATOM     15  C   LIG    1       -5.957  -1.475   1.549  0.00  0.00    +0.062 A 
ATOM     16  C   LIG    1       -5.118  -1.144   2.606  0.00  0.00    +0.125 A 
ATOM     17  C   LIG    1       -4.038  -0.265   2.443  0.00  0.00    +0.039 A 
ATOM     18  F   LIG    1       -5.349  -1.675   3.814  0.00  0.00    -0.205 F 
ATOM     19  N   LIG    1       -6.372  -1.066  -0.865  0.00  0.00    -0.284 N 
ATOM     20  H   LIG    1       -7.198  -1.633  -0.989  0.00  0.00    +0.155 HD
ATOM     21  C   LIG    1       -3.772   0.307   1.194  0.00  0.00    +0.009 A 
ATOM     22  C   LIG    1       -5.818  -0.324  -1.893  0.00  0.00    +0.228 C 
ATOM     23  O   LIG    1       -6.206  -0.245  -3.046  0.00  0.00    -0.274 OA
ATOM     24  C   LIG    1       -4.254   1.784  -1.753  0.00  0.00    +0.031 C 
ENDBRANCH   5  11
BRANCH   1  25
ATOM     25  N   LIG    1        2.967   0.342   0.024  0.00  0.00    -0.279 N 
ATOM     26  H   LIG    1        2.945   1.315  -0.254  0.00  0.00    +0.155 HD
BRANCH  25  28
ATOM     27  C   LIG    1        5.194   1.005   0.649  0.00  0.00    +0.178 A 
ATOM     28  C   LIG    1        4.296  -0.026   0.353  0.00  0.00    +0.170 A 
ATOM     29  N   LIG    1        4.667  -1.319   0.413  0.00  0.00    -0.214 NA
ATOM     30  C   LIG    1        5.929  -1.601   0.773  0.00  0.00    +0.128 A 
ATOM     31  C   LIG    1        6.330  -3.041   0.810  0.00  0.00    +0.088 C 
ATOM     32  N   LIG    1        6.865  -0.680   1.060  0.00  0.00    -0.237 NA
ATOM     33  C   LIG    1        6.469   0.606   0.993  0.00  0.00    +0.162 A 
BRANCH  27  35
ATOM     34  C   LIG    1        5.641   3.319   0.937  0.00  0.00    +0.277 C 
ATOM     35  O   LIG    1        4.735   2.292   0.550  0.00  0.00    -0.490 OA
ENDBRANCH  27  35
ENDBRANCH  25  28
ENDBRANCH   1  25
TORSDOF 4