REMARK  Name = BDB020958
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.947   0.974   1.566  0.00  0.00    +0.029 C 
ATOM      2  C   LIG    1        1.386   1.166   0.109  0.00  0.00    +0.090 C 
ATOM      3  N   LIG    1        0.657   0.240  -0.789  0.00  0.00    -0.296 N 
ATOM      4  C   LIG    1       -0.573   0.491  -1.376  0.00  0.00    +0.216 C 
ATOM      5  O   LIG    1       -1.085  -0.300  -2.174  0.00  0.00    -0.276 OA
ATOM      6  C   LIG    1        1.402  -0.939  -1.250  0.00  0.00    +0.127 C 
ATOM      7  C   LIG    1        2.465  -1.453  -0.263  0.00  0.00    +0.125 C 
ATOM      8  N   LIG    1        3.338  -0.381   0.243  0.00  0.00    -0.312 N 
ATOM      9  C   LIG    1        2.923   1.004  -0.028  0.00  0.00    +0.128 C 
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1        4.705  -0.605   0.333  0.00  0.00    +0.121 A 
ATOM     11  N   LIG    1        5.551   0.415   0.062  0.00  0.00    -0.239 NA
ATOM     12  C   LIG    1        6.887   0.205   0.165  0.00  0.00    +0.131 A 
ATOM     13  C   LIG    1        7.452  -0.998   0.543  0.00  0.00    +0.070 A 
ATOM     14  C   LIG    1        6.590  -2.045   0.839  0.00  0.00    +0.024 A 
ATOM     15  C   LIG    1        5.211  -1.843   0.737  0.00  0.00    +0.045 A 
BRANCH  13  16
ATOM     16  C   LIG    1        8.869  -1.144   0.632  0.00  0.00    +0.101 C 
ATOM     17  N   LIG    1       10.021  -1.263   0.702  0.00  0.00    -0.191 NA
ENDBRANCH  13  16
ENDBRANCH   8  10
BRANCH   4  18
ATOM     18  C   LIG    1       -1.293   1.779  -1.003  0.00  0.00    +0.103 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.647   1.911  -1.699  0.00  0.00    +0.083 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.694   1.060  -1.018  0.00  0.00    +0.111 A 
ATOM     21  N   LIG    1       -3.659  -0.280  -1.287  0.00  0.00    -0.310 N 
ATOM     22  H   LIG    1       -2.913  -0.660  -1.870  0.00  0.00    +0.170 HD
ATOM     23  C   LIG    1       -4.501  -1.196  -0.707  0.00  0.00    +0.262 A 
ATOM     24  O   LIG    1       -4.384  -2.397  -0.909  0.00  0.00    -0.267 OA
ATOM     25  C   LIG    1       -5.527  -0.630   0.183  0.00  0.00    +0.103 A 
ATOM     26  C   LIG    1       -5.503   0.756   0.390  0.00  0.00    +0.081 A 
ATOM     27  C   LIG    1       -6.458   1.335   1.233  0.00  0.00    +0.031 A 
ATOM     28  C   LIG    1       -7.421   0.544   1.861  0.00  0.00    +0.043 A 
ATOM     29  C   LIG    1       -7.427  -0.830   1.642  0.00  0.00    +0.159 A 
ATOM     30  F   LIG    1       -8.355  -1.582   2.249  0.00  0.00    -0.202 F 
ATOM     31  C   LIG    1       -6.485  -1.422   0.808  0.00  0.00    +0.173 A 
ATOM     32  F   LIG    1       -6.527  -2.749   0.625  0.00  0.00    -0.202 F 
ATOM     33  N   LIG    1       -4.554   1.597  -0.214  0.00  0.00    -0.234 NA
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   4  18
TORSDOF 5