REMARK  Name = BDB045479
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.172  -0.820   1.081  0.00  0.00    +0.008 C 
ATOM      2  C   LIG    1        1.066  -0.393   0.536  0.00  0.00    +0.108 C 
ATOM      3  C   LIG    1        0.128  -1.363  -0.032  0.00  0.00    +0.261 C 
ATOM      4  O   LIG    1        0.383  -2.569   0.007  0.00  0.00    -0.269 OA
ATOM      5  N   LIG    1       -1.033  -0.845  -0.598  0.00  0.00    -0.206 N 
ATOM      6  C   LIG    1       -1.317   0.527  -0.638  0.00  0.00    +0.320 C 
ATOM      7  O   LIG    1       -2.368   0.934  -1.156  0.00  0.00    -0.251 OA
ATOM      8  N   LIG    1       -0.403   1.437  -0.088  0.00  0.00    -0.206 N 
ATOM      9  C   LIG    1        0.793   1.045   0.507  0.00  0.00    +0.261 C 
ATOM     10  O   LIG    1        1.601   1.840   0.992  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1  14
ATOM     11  C   LIG    1        5.766  -2.196   2.852  0.00  0.00    +0.122 A 
ATOM     12  C   LIG    1        4.852  -3.106   2.302  0.00  0.00    +0.046 A 
ATOM     13  C   LIG    1        3.665  -2.649   1.717  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1        3.384  -1.283   1.678  0.00  0.00    -0.016 A 
ATOM     15  C   LIG    1        4.286  -0.370   2.222  0.00  0.00    +0.012 A 
ATOM     16  C   LIG    1        5.472  -0.826   2.806  0.00  0.00    +0.046 A 
BRANCH  11  18
ATOM     17  C   LIG    1        7.299  -3.881   3.525  0.00  0.00    +0.252 C 
ATOM     18  O   LIG    1        6.964  -2.515   3.453  0.00  0.00    -0.473 OA
ENDBRANCH  11  18
ENDBRANCH   1  14
BRANCH   5  19
ATOM     19  C   LIG    1       -1.941  -1.723  -1.143  0.00  0.00    +0.128 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.883  -2.636  -1.708  0.00  0.00    -0.019 A 
ATOM     21  C   LIG    1       -4.060  -2.156  -2.286  0.00  0.00    +0.006 A 
ATOM     22  C   LIG    1       -4.979  -3.049  -2.837  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -4.722  -4.420  -2.811  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -3.546  -4.900  -2.233  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -2.625  -4.008  -1.681  0.00  0.00    +0.006 A 
ENDBRANCH  19  20
ENDBRANCH   5  19
BRANCH   8  26
ATOM     26  C   LIG    1       -0.698   2.780  -0.136  0.00  0.00    +0.128 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -1.003   4.175  -0.186  0.00  0.00    -0.019 A 
ATOM     28  C   LIG    1       -2.193   4.607  -0.774  0.00  0.00    +0.006 A 
ATOM     29  C   LIG    1       -2.490   5.970  -0.822  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -1.599   6.898  -0.282  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -0.410   6.465   0.305  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -0.111   5.103   0.354  0.00  0.00    +0.006 A 
ENDBRANCH  26  27
ENDBRANCH   8  26
TORSDOF 6