REMARK  Name = BDB020495
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.463   0.981  -0.953  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1        0.857   0.603  -0.591  0.00  0.00    +0.057 A 
ATOM      3  C   LIG    1        1.999   1.198  -1.139  0.00  0.00    +0.063 A 
ATOM      4  N   LIG    1        3.271   0.877  -0.784  0.00  0.00    -0.249 NA
ATOM      5  C   LIG    1        3.461  -0.092   0.145  0.00  0.00    +0.086 A 
ATOM      6  C   LIG    1        2.408  -0.779   0.730  0.00  0.00    +0.083 A 
ATOM      7  C   LIG    1        1.876   2.282  -2.172  0.00  0.00    +0.059 C 
ATOM      8  C   LIG    1        0.526   2.219  -2.859  0.00  0.00    +0.025 C 
ATOM      9  C   LIG    1        1.104  -0.398   0.359  0.00  0.00    +0.039 A 
ATOM     10  C   LIG    1       -0.570   2.177  -1.804  0.00  0.00    +0.113 C 
ENDROOT
BRANCH   1  18
ATOM     11  C   LIG    1       -5.469   3.341  -0.506  0.00  0.00    +0.132 C 
ATOM     12  N   LIG    1       -4.842   2.038  -0.375  0.00  0.00    -0.297 N 
ATOM     13  C   LIG    1       -5.660   0.946  -0.089  0.00  0.00    +0.235 C 
ATOM     14  O   LIG    1       -6.888   1.040  -0.021  0.00  0.00    -0.274 OA
ATOM     15  C   LIG    1       -4.997  -0.400   0.141  0.00  0.00    +0.219 C 
ATOM     16  N   LIG    1       -3.603  -0.409  -0.229  0.00  0.00    -0.319 N 
ATOM     17  C   LIG    1       -2.842   0.721  -0.348  0.00  0.00    +0.079 A 
ATOM     18  C   LIG    1       -1.592   0.261  -0.706  0.00  0.00    +0.149 A 
ATOM     19  N   LIG    1       -1.590  -1.110  -0.770  0.00  0.00    -0.217 NA
ATOM     20  C   LIG    1       -2.812  -1.490  -0.477  0.00  0.00    +0.116 A 
ATOM     21  C   LIG    1       -3.427   2.031  -0.022  0.00  0.00    +0.164 C 
BRANCH  20  22
ATOM     22  C   LIG    1       -3.253  -2.978  -0.424  0.00  0.00    +0.055 C 
ATOM     23  C   LIG    1       -3.584  -3.598   0.908  0.00  0.00    +0.012 C 
ATOM     24  C   LIG    1       -2.320  -3.985   0.198  0.00  0.00    +0.012 C 
ENDBRANCH  20  22
ENDBRANCH   1  18
BRANCH   5  25
ATOM     25  C   LIG    1        4.862  -0.328   0.434  0.00  0.00    +0.038 A 
ATOM     26  C   LIG    1        5.445  -0.386   1.683  0.00  0.00    +0.118 A 
ATOM     27  N   LIG    1        6.781  -0.577   1.470  0.00  0.00    -0.274 N 
ATOM     28  C   LIG    1        7.807  -0.723   2.473  0.00  0.00    +0.172 C 
ATOM     29  N   LIG    1        7.119  -0.606   0.169  0.00  0.00    -0.179 NA
ATOM     30  C   LIG    1        5.953  -0.427  -0.459  0.00  0.00    +0.144 A 
ENDBRANCH   5  25
BRANCH   6  31
ATOM     31  C   LIG    1        2.605  -1.887   1.714  0.00  0.00    +0.419 C 
ATOM     32  F   LIG    1        3.558  -2.790   1.353  0.00  0.00    -0.166 F 
ATOM     33  F   LIG    1        1.477  -2.632   1.920  0.00  0.00    -0.166 F 
ATOM     34  F   LIG    1        2.955  -1.437   2.953  0.00  0.00    -0.166 F 
ENDBRANCH   6  31
TORSDOF 4