REMARK  Name = BDB004909
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.914  -0.078   0.398  0.00  0.00    +0.122 A 
ATOM      2  C   LIG    1        1.527  -0.053   0.303  0.00  0.00    +0.059 A 
ATOM      3  C   LIG    1        0.847  -0.452  -0.875  0.00  0.00    +0.044 A 
ATOM      4  C   LIG    1        1.576  -0.869  -2.001  0.00  0.00    +0.088 A 
ATOM      5  N   LIG    1        0.935  -1.231  -3.135  0.00  0.00    -0.235 NA
ATOM      6  C   LIG    1       -0.402  -1.169  -3.145  0.00  0.00    +0.223 A 
ATOM      7  N   LIG    1       -1.178  -0.803  -2.129  0.00  0.00    -0.220 NA
ATOM      8  C   LIG    1        2.982  -0.886  -1.891  0.00  0.00    +0.066 A 
ATOM      9  C   LIG    1       -0.559  -0.451  -0.993  0.00  0.00    +0.130 A 
ATOM     10  C   LIG    1        3.638  -0.496  -0.703  0.00  0.00    +0.060 A 
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1        3.884  -1.311  -3.009  0.00  0.00    +0.244 C 
ATOM     12  O   LIG    1        5.102  -1.352  -2.871  0.00  0.00    -0.270 OA
ATOM     13  N   LIG    1        3.325  -1.659  -4.202  0.00  0.00    -0.325 N 
ATOM     14  H   LIG    1        3.924  -1.950  -4.960  0.00  0.00    +0.145 HD
ATOM     15  H   LIG    1        2.317  -1.641  -4.330  0.00  0.00    +0.145 HD
ENDBRANCH   8  11
BRANCH   9  16
ATOM     16  N   LIG    1       -1.340  -0.042   0.105  0.00  0.00    -0.320 N 
ATOM     17  H   LIG    1       -1.099  -0.618   0.915  0.00  0.00    +0.148 HD
BRANCH  16  18
ATOM     18  C   LIG    1       -2.803  -0.080  -0.056  0.00  0.00    +0.116 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -3.318   1.190  -0.718  0.00  0.00    -0.023 A 
ATOM     20  C   LIG    1       -2.840   2.457  -0.345  0.00  0.00    +0.043 A 
ATOM     21  C   LIG    1       -3.344   3.600  -0.955  0.00  0.00    +0.124 A 
ATOM     22  F   LIG    1       -2.879   4.803  -0.589  0.00  0.00    -0.205 F 
ATOM     23  C   LIG    1       -4.325   3.518  -1.935  0.00  0.00    +0.038 A 
ATOM     24  C   LIG    1       -4.810   2.268  -2.317  0.00  0.00    +0.003 A 
ATOM     25  C   LIG    1       -4.310   1.112  -1.711  0.00  0.00    +0.005 A 
ENDBRANCH  18  19
BRANCH  18  26
ATOM     26  C   LIG    1       -3.442  -0.249   1.363  0.00  0.00    +0.110 C 
BRANCH  26  27
ATOM     27  N   LIG    1       -2.831  -1.345   2.168  0.00  0.00    -0.306 NA
ATOM     28  C   LIG    1       -3.305  -1.262   3.553  0.00  0.00    +0.104 C 
ATOM     29  C   LIG    1       -3.159  -2.663   1.615  0.00  0.00    +0.104 C 
ENDBRANCH  26  27
ENDBRANCH  18  26
ENDBRANCH  16  18
ENDBRANCH   9  16
BRANCH   1  30
ATOM     30  O   LIG    1        3.411   0.336   1.598  0.00  0.00    -0.489 OA
BRANCH  30  32
ATOM     31  C   LIG    1        5.501   1.538   1.351  0.00  0.00    +0.051 C 
ATOM     32  C   LIG    1        4.821   0.263   1.840  0.00  0.00    +0.167 C 
ATOM     33  C   LIG    1        4.998   0.125   3.351  0.00  0.00    +0.051 C 
ENDBRANCH  30  32
ENDBRANCH   1  30
TORSDOF 8