REMARK  Name = BDB035921
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.258  -1.237   0.372  0.00  0.00    -0.040 C 
ATOM      2  C   LIG    1        1.958  -2.293  -0.668  0.00  0.00    +0.051 C 
ATOM      3  C   LIG    1        0.672  -3.079  -0.350  0.00  0.00    +0.089 C 
ATOM      4  N   LIG    1       -0.454  -2.235   0.086  0.00  0.00    -0.294 NA
ATOM      5  C   LIG    1       -0.071  -1.486   1.294  0.00  0.00    +0.112 C 
ATOM      6  C   LIG    1        1.310  -0.885   1.263  0.00  0.00    -0.007 C 
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1        6.117   0.522   0.453  0.00  0.00    +0.125 A 
ATOM      8  N   LIG    1        5.514   0.226   1.628  0.00  0.00    -0.250 NA
ATOM      9  C   LIG    1        4.281  -0.332   1.559  0.00  0.00    +0.119 A 
ATOM     10  C   LIG    1        3.598  -0.616   0.374  0.00  0.00    -0.004 A 
ATOM     11  C   LIG    1        4.262  -0.303  -0.817  0.00  0.00    +0.012 A 
ATOM     12  C   LIG    1        5.533   0.275  -0.784  0.00  0.00    +0.033 A 
BRANCH   7  16
ATOM     13  C   LIG    1        9.777   1.134  -0.306  0.00  0.00    +0.128 C 
ATOM     14  N   LIG    1        8.404   0.702  -0.393  0.00  0.00    -0.313 N 
ATOM     15  H   LIG    1        8.216  -0.170  -0.871  0.00  0.00    +0.149 HD
ATOM     16  C   LIG    1        7.477   1.147   0.540  0.00  0.00    +0.262 C 
ATOM     17  O   LIG    1        7.740   1.986   1.395  0.00  0.00    -0.269 OA
ENDBRANCH   7  16
ENDBRANCH   1  10
BRANCH   4  18
ATOM     18  C   LIG    1       -0.932  -1.359  -0.994  0.00  0.00    +0.121 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.305  -0.795  -0.729  0.00  0.00    -0.015 A 
ATOM     20  C   LIG    1       -2.550   0.578  -0.725  0.00  0.00    +0.012 A 
ATOM     21  C   LIG    1       -3.846   1.062  -0.492  0.00  0.00    -0.014 A 
ATOM     22  C   LIG    1       -4.099   2.534  -0.474  0.00  0.00    +0.116 C 
ATOM     23  C   LIG    1       -5.527   2.942  -0.212  0.00  0.00    +0.172 C 
ATOM     24  C   LIG    1       -6.565   1.910   0.066  0.00  0.00    +0.102 C 
ATOM     25  C   LIG    1       -6.255   0.595  -0.015  0.00  0.00    -0.010 C 
ATOM     26  C   LIG    1       -7.263  -0.520   0.138  0.00  0.00    +0.046 C 
ATOM     27  O   LIG    1       -5.824   4.136  -0.244  0.00  0.00    -0.292 OA
ATOM     28  C   LIG    1       -4.869   0.149  -0.278  0.00  0.00    +0.071 A 
ATOM     29  N   LIG    1       -4.651  -1.185  -0.276  0.00  0.00    -0.255 NA
ATOM     30  C   LIG    1       -3.391  -1.626  -0.498  0.00  0.00    +0.116 A 
BRANCH  24  31
ATOM     31  C   LIG    1       -7.880   2.530   0.417  0.00  0.00    +0.421 C 
ATOM     32  F   LIG    1       -7.772   3.467   1.396  0.00  0.00    -0.166 F 
ATOM     33  F   LIG    1       -8.470   3.120  -0.654  0.00  0.00    -0.166 F 
ATOM     34  F   LIG    1       -8.787   1.636   0.896  0.00  0.00    -0.166 F 
ENDBRANCH  24  31
ENDBRANCH  18  19
ENDBRANCH   4  18
TORSDOF 5