REMARK  Name = BDB003397
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.352  -0.136  -0.897  0.00  0.00    +0.048 A 
ATOM      2  C   LIG    1       -1.336   0.665  -0.097  0.00  0.00    +0.276 A 
ATOM      3  O   LIG    1       -1.193   1.856   0.128  0.00  0.00    -0.266 OA
ATOM      4  N   LIG    1       -2.350  -0.212   0.276  0.00  0.00    -0.219 N 
ATOM      5  N   LIG    1       -2.048  -1.491  -0.203  0.00  0.00    -0.294 N 
ATOM      6  H   LIG    1       -2.801  -1.885  -0.772  0.00  0.00    +0.187 HD
ATOM      7  C   LIG    1       -0.868  -1.380  -0.930  0.00  0.00    +0.039 A 
ATOM      8  C   LIG    1       -0.341  -2.599  -1.609  0.00  0.00    +0.065 C 
ENDROOT
BRANCH   4   9
ATOM      9  C   LIG    1       -3.493   0.012   1.073  0.00  0.00    +0.067 A 
ATOM     10  C   LIG    1       -4.318  -1.056   1.461  0.00  0.00    +0.028 A 
ATOM     11  C   LIG    1       -5.457  -0.841   2.244  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1       -5.789   0.447   2.653  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1       -4.980   1.517   2.282  0.00  0.00    +0.002 A 
ATOM     14  C   LIG    1       -3.840   1.300   1.500  0.00  0.00    +0.028 A 
ENDBRANCH   4   9
BRANCH   1  15
ATOM     15  C   LIG    1        0.836   0.550  -1.513  0.00  0.00    +0.082 C 
BRANCH  15  19
ATOM     16  C   LIG    1        4.293   0.142   1.106  0.00  0.00    +0.120 A 
ATOM     17  C   LIG    1        4.072  -0.791   0.091  0.00  0.00    +0.046 A 
ATOM     18  C   LIG    1        2.970  -0.678  -0.762  0.00  0.00    +0.008 A 
ATOM     19  C   LIG    1        2.067   0.384  -0.622  0.00  0.00    -0.038 A 
ATOM     20  C   LIG    1        2.292   1.312   0.410  0.00  0.00    +0.008 A 
ATOM     21  C   LIG    1        3.395   1.194   1.264  0.00  0.00    +0.046 A 
BRANCH  16  23
ATOM     22  C   LIG    1        5.660   0.822   2.926  0.00  0.00    +0.277 C 
ATOM     23  O   LIG    1        5.406  -0.090   1.865  0.00  0.00    -0.495 OA
ENDBRANCH  16  23
ENDBRANCH  15  19
BRANCH  15  24
ATOM     24  C   LIG    1        1.131   0.208  -2.979  0.00  0.00    +0.224 C 
BRANCH  24  25
ATOM     25  N   LIG    1       -0.020   0.657  -3.825  0.00  0.00    +0.023 N 
ATOM     26  O   LIG    1       -0.859  -0.199  -4.132  0.00  0.00    -0.132 OA
ATOM     27  O   LIG    1       -0.041   1.845  -4.166  0.00  0.00    -0.132 OA
ENDBRANCH  24  25
ENDBRANCH  15  24
ENDBRANCH   1  15
TORSDOF 6