REMARK  Name = BDB023929
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.777   4.041  -1.592  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -3.415   3.710  -1.037  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -3.296   2.550  -0.282  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -1.972   2.313   0.325  0.00  0.00    +0.146 C 
ATOM      5  C   LIG    1       -1.850   0.897   0.759  0.00  0.00    +0.018 A 
ATOM      6  C   LIG    1       -0.731   0.169   1.232  0.00  0.00    +0.098 A 
ATOM      7  N   LIG    1       -1.072  -1.088   1.551  0.00  0.00    -0.170 NA
ATOM      8  N   LIG    1       -2.379  -1.184   1.227  0.00  0.00    -0.264 N 
ATOM      9  C   LIG    1       -2.892  -0.004   0.781  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1       -4.273   0.306   0.343  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -4.452   1.840   0.311  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -2.458   4.450  -1.268  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   6  13
ATOM     13  C   LIG    1        0.637   0.642   1.385  0.00  0.00    +0.006 A 
ATOM     14  C   LIG    1        1.504   0.769   0.284  0.00  0.00    -0.025 A 
ATOM     15  C   LIG    1        1.109   0.406  -1.124  0.00  0.00    +0.132 C 
ATOM     16  C   LIG    1        2.257  -0.087  -1.998  0.00  0.00    +0.224 C 
ATOM     17  N   LIG    1        3.533   0.425  -1.718  0.00  0.00    -0.264 N 
ATOM     18  C   LIG    1        3.667   1.497  -0.731  0.00  0.00    +0.149 C 
ATOM     19  O   LIG    1        1.995  -0.861  -2.923  0.00  0.00    -0.275 OA
ATOM     20  C   LIG    1        2.791   1.294   0.476  0.00  0.00    -0.025 A 
ATOM     21  C   LIG    1        3.213   1.670   1.757  0.00  0.00    +0.005 A 
ATOM     22  C   LIG    1        2.365   1.508   2.851  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1        1.081   0.998   2.666  0.00  0.00    +0.010 A 
BRANCH  17  24
ATOM     24  C   LIG    1        4.631   0.032  -2.511  0.00  0.00    +0.074 A 
ATOM     25  C   LIG    1        5.902   0.571  -2.468  0.00  0.00    +0.131 A 
ATOM     26  N   LIG    1        6.649  -0.103  -3.392  0.00  0.00    -0.273 N 
ATOM     27  C   LIG    1        8.040   0.107  -3.707  0.00  0.00    +0.172 C 
ATOM     28  N   LIG    1        5.964  -1.053  -4.042  0.00  0.00    -0.178 NA
ATOM     29  C   LIG    1        4.739  -0.972  -3.510  0.00  0.00    +0.157 A 
ENDBRANCH  17  24
ENDBRANCH   6  13
BRANCH   8  30
ATOM     30  C   LIG    1       -3.063  -2.466   1.381  0.00  0.00    +0.112 C 
ATOM     31  C   LIG    1       -2.517  -3.505   0.392  0.00  0.00    +0.055 C 
ATOM     32  C   LIG    1       -2.884  -4.905   0.852  0.00  0.00    +0.162 C 
ATOM     33  O   LIG    1       -2.422  -5.225   2.163  0.00  0.00    -0.380 OA
ATOM     34  C   LIG    1       -2.035  -4.112   2.969  0.00  0.00    +0.162 C 
ATOM     35  C   LIG    1       -3.022  -2.965   2.832  0.00  0.00    +0.055 C 
ENDBRANCH   8  30
TORSDOF 3