REMARK  Name = BDB003325
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.090  -1.429  -0.812  0.00  0.00    -0.283 N 
ATOM      2  C   LIG    1       -0.841  -0.630  -0.094  0.00  0.00    +0.039 A 
ATOM      3  C   LIG    1       -2.196  -0.556  -0.463  0.00  0.00    -0.025 A 
ATOM      4  C   LIG    1       -3.090   0.247   0.268  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1       -2.683   0.967   1.403  0.00  0.00    -0.007 A 
ATOM      6  C   LIG    1       -1.343   0.858   1.817  0.00  0.00    +0.027 A 
ATOM      7  C   LIG    1       -2.720  -1.297  -1.665  0.00  0.00    +0.038 C 
ATOM      8  C   LIG    1       -1.784  -2.424  -2.065  0.00  0.00    +0.024 C 
ATOM      9  C   LIG    1       -0.453   0.061   1.068  0.00  0.00    +0.033 A 
ATOM     10  C   LIG    1       -0.363  -1.886  -2.139  0.00  0.00    +0.113 C 
ENDROOT
BRANCH   1  13
ATOM     11  C   LIG    1        3.279   0.293  -0.788  0.00  0.00    +0.128 A 
ATOM     12  N   LIG    1        1.943   0.075  -0.775  0.00  0.00    -0.225 NA
ATOM     13  C   LIG    1        1.508  -1.214  -0.829  0.00  0.00    +0.153 A 
ATOM     14  C   LIG    1        2.386  -2.331  -0.897  0.00  0.00    +0.111 A 
ATOM     15  C   LIG    1        3.768  -2.038  -0.913  0.00  0.00    +0.006 A 
ATOM     16  C   LIG    1        4.685  -3.096  -0.976  0.00  0.00    +0.011 A 
ATOM     17  C   LIG    1        4.234  -4.407  -1.016  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1        2.872  -4.619  -0.993  0.00  0.00    +0.111 A 
ATOM     19  N   LIG    1        1.961  -3.624  -0.938  0.00  0.00    -0.252 NA
ATOM     20  C   LIG    1        4.219  -0.716  -0.860  0.00  0.00    +0.043 A 
BRANCH  11  24
ATOM     21  C   LIG    1        2.857   4.041  -0.465  0.00  0.00    +0.128 C 
ATOM     22  N   LIG    1        2.674   2.620  -0.580  0.00  0.00    -0.313 N 
ATOM     23  H   LIG    1        1.737   2.222  -0.555  0.00  0.00    +0.149 HD
ATOM     24  C   LIG    1        3.713   1.724  -0.708  0.00  0.00    +0.262 C 
ATOM     25  O   LIG    1        4.898   2.032  -0.753  0.00  0.00    -0.269 OA
ENDBRANCH  11  24
ENDBRANCH   1  13
BRANCH   5  26
ATOM     26  C   LIG    1       -3.672   1.780   2.120  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1       -3.687   3.167   2.036  0.00  0.00    +0.143 A 
ATOM     28  N   LIG    1       -4.591   3.938   2.678  0.00  0.00    -0.157 NA
ATOM     29  N   LIG    1       -5.544   3.348   3.447  0.00  0.00    -0.158 NA
ATOM     30  C   LIG    1       -5.570   2.005   3.552  0.00  0.00    +0.135 A 
ATOM     31  C   LIG    1       -4.660   1.189   2.909  0.00  0.00    +0.031 A 
ENDBRANCH   5  26
BRANCH   6  32
ATOM     32  C   LIG    1       -0.823   1.588   3.033  0.00  0.00    +0.372 C 
ATOM     33  F   LIG    1        0.434   1.208   3.401  0.00  0.00    -0.204 F 
ATOM     34  F   LIG    1       -0.750   2.933   2.830  0.00  0.00    -0.204 F 
ENDBRANCH   6  32
TORSDOF 4