REMARK  Name = BDB017384
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.343  -0.919   1.408  0.00  0.00    +0.188 C 
ATOM      2  C   LIG    1       -2.004  -2.140   2.314  0.00  0.00    +0.147 C 
ATOM      3  C   LIG    1       -2.413  -3.479   1.699  0.00  0.00    +0.040 C 
ATOM      4  O   LIG    1       -0.600  -2.281   2.641  0.00  0.00    -0.353 OA
ATOM      5  C   LIG    1        0.141  -1.092   2.447  0.00  0.00    +0.209 C 
ATOM      6  N   LIG    1        0.035  -0.774   1.054  0.00  0.00    -0.262 N 
ATOM      7  C   LIG    1        1.313  -0.754   0.377  0.00  0.00    +0.165 C 
ATOM      8  C   LIG    1        2.195  -1.604   1.291  0.00  0.00    +0.036 C 
ATOM      9  C   LIG    1        1.632  -1.318   2.689  0.00  0.00    +0.054 C 
ATOM     10  C   LIG    1       -1.182  -0.701   0.436  0.00  0.00    +0.241 C 
ATOM     11  O   LIG    1       -1.325  -0.472  -0.763  0.00  0.00    -0.273 OA
ENDROOT
BRANCH   1  13
ATOM     12  C   LIG    1       -4.809  -0.875   1.337  0.00  0.00    +0.230 C 
ATOM     13  N   LIG    1       -3.602  -1.010   0.690  0.00  0.00    -0.301 N 
ATOM     14  H   LIG    1       -3.609  -0.733  -0.293  0.00  0.00    +0.150 HD
ATOM     15  O   LIG    1       -4.916  -0.866   2.560  0.00  0.00    -0.274 OA
BRANCH  12  16
ATOM     16  C   LIG    1       -6.022  -0.811   0.390  0.00  0.00    +0.137 C 
ATOM     17  C   LIG    1       -6.402  -2.233  -0.015  0.00  0.00    +0.034 C 
BRANCH  16  19
ATOM     18  C   LIG    1       -5.629   1.402  -0.543  0.00  0.00    +0.101 C 
ATOM     19  N   LIG    1       -5.694  -0.030  -0.830  0.00  0.00    -0.309 NA
ATOM     20  H   LIG    1       -6.428  -0.183  -1.522  0.00  0.00    +0.122 HD
ENDBRANCH  16  19
ENDBRANCH  12  16
ENDBRANCH   1  13
BRANCH   7  21
ATOM     21  C   LIG    1        1.867   0.685   0.260  0.00  0.00    +0.238 C 
ATOM     22  N   LIG    1        2.869   0.781  -0.697  0.00  0.00    -0.283 N 
ATOM     23  H   LIG    1        3.029  -0.049  -1.245  0.00  0.00    +0.155 HD
ATOM     24  O   LIG    1        1.477   1.580   1.006  0.00  0.00    -0.273 OA
BRANCH  22  25
ATOM     25  C   LIG    1        3.656   1.914  -1.042  0.00  0.00    +0.041 A 
ATOM     26  C   LIG    1        4.630   1.800  -2.089  0.00  0.00    +0.003 A 
ATOM     27  C   LIG    1        5.412   2.942  -2.413  0.00  0.00    -0.016 A 
ATOM     28  C   LIG    1        6.379   2.884  -3.430  0.00  0.00    +0.008 A 
ATOM     29  C   LIG    1        6.601   1.711  -4.147  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1        5.854   0.581  -3.855  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1        5.226   4.144  -1.720  0.00  0.00    +0.008 A 
ATOM     32  C   LIG    1        4.279   4.240  -0.708  0.00  0.00    +0.002 A 
ATOM     33  C   LIG    1        4.887   0.624  -2.845  0.00  0.00    +0.010 A 
ATOM     34  C   LIG    1        3.503   3.135  -0.372  0.00  0.00    +0.024 A 
ENDBRANCH  22  25
ENDBRANCH   7  21
TORSDOF 5