REMARK  Name = BDB031803
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.889   0.400   0.183  0.00  0.00    +0.154 A 
ATOM      2  C   LIG    1       -0.666   0.442  -0.561  0.00  0.00    +0.041 A 
ATOM      3  C   LIG    1        0.189   1.242   0.185  0.00  0.00    +0.068 A 
ATOM      4  C   LIG    1        1.499   1.540  -0.205  0.00  0.00    +0.031 A 
ATOM      5  C   LIG    1        1.989   0.990  -1.406  0.00  0.00    -0.041 A 
ATOM      6  C   LIG    1        1.123   0.193  -2.175  0.00  0.00    +0.005 A 
ATOM      7  N   LIG    1       -0.541   1.608   1.280  0.00  0.00    -0.275 N 
ATOM      8  H   LIG    1       -0.247   2.196   2.051  0.00  0.00    +0.189 HD
ATOM      9  C   LIG    1       -0.191  -0.094  -1.773  0.00  0.00    +0.014 A 
ATOM     10  N   LIG    1       -1.780   1.108   1.311  0.00  0.00    -0.157 NA
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1        3.397   1.291  -1.864  0.00  0.00    +0.040 C 
ATOM     12  C   LIG    1        4.613   0.822  -1.091  0.00  0.00    +0.081 C 
ATOM     13  C   LIG    1        4.596   0.021   0.181  0.00  0.00    -0.008 A 
ATOM     14  C   LIG    1        5.651   0.483   0.990  0.00  0.00    +0.038 A 
ATOM     15  C   LIG    1        5.938  -0.032   2.239  0.00  0.00    +0.026 A 
ATOM     16  C   LIG    1        5.127  -1.069   2.699  0.00  0.00    +0.040 A 
ATOM     17  C   LIG    1        4.076  -1.550   1.904  0.00  0.00    +0.124 A 
ATOM     18  F   LIG    1        3.318  -2.552   2.368  0.00  0.00    -0.205 F 
ATOM     19  N   LIG    1        6.335   1.502   0.325  0.00  0.00    -0.284 N 
ATOM     20  H   LIG    1        7.143   1.994   0.675  0.00  0.00    +0.155 HD
ATOM     21  C   LIG    1        3.802  -1.017   0.644  0.00  0.00    +0.044 A 
ATOM     22  C   LIG    1        5.792   1.754  -0.922  0.00  0.00    +0.228 C 
ATOM     23  O   LIG    1        6.172   2.568  -1.746  0.00  0.00    -0.274 OA
ATOM     24  C   LIG    1        4.290   0.198  -2.417  0.00  0.00    +0.031 C 
ENDBRANCH   5  11
BRANCH   1  25
ATOM     25  N   LIG    1       -2.957  -0.306  -0.251  0.00  0.00    -0.279 N 
ATOM     26  H   LIG    1       -2.905  -0.776  -1.146  0.00  0.00    +0.155 HD
BRANCH  25  28
ATOM     27  C   LIG    1       -5.160  -1.270  -0.342  0.00  0.00    +0.178 A 
ATOM     28  C   LIG    1       -4.297  -0.321   0.214  0.00  0.00    +0.170 A 
ATOM     29  N   LIG    1       -4.709   0.523   1.180  0.00  0.00    -0.214 NA
ATOM     30  C   LIG    1       -5.981   0.437   1.596  0.00  0.00    +0.128 A 
ATOM     31  C   LIG    1       -6.411   1.357   2.695  0.00  0.00    +0.088 C 
ATOM     32  N   LIG    1       -6.882  -0.443   1.126  0.00  0.00    -0.237 NA
ATOM     33  C   LIG    1       -6.445  -1.276   0.161  0.00  0.00    +0.162 A 
BRANCH  27  35
ATOM     34  C   LIG    1       -5.529  -3.098  -1.811  0.00  0.00    +0.277 C 
ATOM     35  O   LIG    1       -4.662  -2.078  -1.329  0.00  0.00    -0.490 OA
ENDBRANCH  27  35
ENDBRANCH  25  28
ENDBRANCH   1  25
TORSDOF 4