REMARK  Name = BDB001387
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.821  -0.719   0.090  0.00  0.00    +0.193 C 
ATOM      2  N   LIG    1        0.506  -1.298  -0.098  0.00  0.00    -0.257 N 
ATOM      3  C   LIG    1        0.630  -1.960  -1.304  0.00  0.00    +0.250 C 
ATOM      4  O   LIG    1        1.589  -2.567  -1.741  0.00  0.00    -0.270 OA
ATOM      5  C   LIG    1       -0.647  -1.812  -2.012  0.00  0.00    +0.045 A 
ATOM      6  C   LIG    1       -1.006  -2.286  -3.260  0.00  0.00    +0.013 A 
ATOM      7  C   LIG    1       -2.301  -2.009  -3.702  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -3.194  -1.278  -2.896  0.00  0.00    +0.000 A 
ATOM      9  C   LIG    1       -2.807  -0.810  -1.636  0.00  0.00    +0.009 A 
ATOM     10  C   LIG    1       -1.518  -1.084  -1.203  0.00  0.00    +0.019 A 
ENDROOT
BRANCH   1  11
ATOM     11  C   LIG    1       -1.543  -1.341   1.298  0.00  0.00    +0.007 A 
ATOM     12  C   LIG    1       -1.652  -2.740   1.437  0.00  0.00    +0.008 A 
ATOM     13  C   LIG    1       -2.312  -3.308   2.530  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1       -2.877  -2.491   3.505  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1       -2.784  -1.107   3.389  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -2.125  -0.537   2.297  0.00  0.00    +0.008 A 
ENDBRANCH   1  11
BRANCH   1  17
ATOM     17  O   LIG    1       -0.716   0.692   0.274  0.00  0.00    -0.336 OA
BRANCH  17  18
ATOM     18  C   LIG    1       -0.231   1.463  -0.819  0.00  0.00    +0.283 C 
BRANCH  18  19
ATOM     19  C   LIG    1        0.079   2.889  -0.381  0.00  0.00    +0.333 C 
ATOM     20  O   LIG    1       -0.181   3.377   0.712  0.00  0.00    -0.248 OA
BRANCH  19  22
ATOM     21  C   LIG    1        1.030   4.905  -1.095  0.00  0.00    +0.280 C 
ATOM     22  O   LIG    1        0.671   3.562  -1.413  0.00  0.00    -0.466 OA
ENDBRANCH  19  22
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   1  17
BRANCH   2  23
ATOM     23  C   LIG    1        1.549  -1.261   0.911  0.00  0.00    +0.146 C 
BRANCH  23  24
ATOM     24  C   LIG    1        2.439  -0.049   0.794  0.00  0.00    -0.030 A 
ATOM     25  C   LIG    1        3.419   0.020  -0.207  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1        4.227   1.151  -0.331  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        4.064   2.224   0.542  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        3.092   2.168   1.539  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        2.284   1.037   1.665  0.00  0.00    +0.005 A 
ENDBRANCH  23  24
ENDBRANCH   2  23
TORSDOF 7