REMARK  Name = BDB014655
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.260  -2.712  -0.028  0.00  0.00    +0.214 C 
ATOM      2  N   LIG    1       -1.175  -1.357  -0.220  0.00  0.00    -0.313 N 
ATOM      3  H   LIG    1       -2.053  -0.885  -0.456  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1       -0.381  -3.370   0.524  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   1   5
ATOM      5  C   LIG    1       -2.512  -3.362  -0.582  0.00  0.00    +0.103 C 
BRANCH   5   6
ATOM      6  C   LIG    1       -3.746  -3.059   0.262  0.00  0.00    +0.083 C 
BRANCH   6  13
ATOM      7  C   LIG    1       -3.459   2.323  -1.317  0.00  0.00    +0.046 C 
ATOM      8  C   LIG    1       -4.756   1.592  -1.133  0.00  0.00    -0.023 A 
ATOM      9  C   LIG    1       -4.831   0.242  -0.737  0.00  0.00    +0.092 A 
ATOM     10  C   LIG    1       -6.071  -0.371  -0.598  0.00  0.00    +0.066 A 
ATOM     11  N   LIG    1       -5.778  -1.653  -0.208  0.00  0.00    -0.342 N 
ATOM     12  H   LIG    1       -6.453  -2.379  -0.014  0.00  0.00    +0.167 HD
ATOM     13  C   LIG    1       -4.412  -1.781  -0.134  0.00  0.00    +0.109 A 
ATOM     14  C   LIG    1       -7.283   0.279  -0.833  0.00  0.00    +0.028 A 
ATOM     15  C   LIG    1       -7.206   1.616  -1.231  0.00  0.00    +0.002 A 
ATOM     16  N   LIG    1       -3.819  -0.647  -0.446  0.00  0.00    -0.232 NA
ATOM     17  C   LIG    1       -5.974   2.258  -1.382  0.00  0.00    +0.005 A 
ENDBRANCH   6  13
ENDBRANCH   5   6
ENDBRANCH   1   5
BRANCH   2  18
ATOM     18  C   LIG    1       -0.125  -0.524   0.354  0.00  0.00    +0.136 C 
BRANCH  18  19
ATOM     19  C   LIG    1        1.288  -0.840  -0.185  0.00  0.00    +0.145 C 
BRANCH  19  20
ATOM     20  O   LIG    1        1.845  -1.930   0.565  0.00  0.00    -0.389 OA
ATOM     21  H   LIG    1        1.165  -2.641   0.566  0.00  0.00    +0.210 HD
ENDBRANCH  19  20
BRANCH  19  22
ATOM     22  C   LIG    1        2.208   0.401  -0.042  0.00  0.00    +0.117 C 
BRANCH  22  23
ATOM     23  N   LIG    1        3.421   0.384  -0.893  0.00  0.00    -0.295 NA
ATOM     24  C   LIG    1        4.169   1.652  -0.785  0.00  0.00    +0.120 C 
ATOM     25  C   LIG    1        5.004   1.804   0.469  0.00  0.00    -0.030 A 
ATOM     26  C   LIG    1        5.420   0.676   1.200  0.00  0.00    -0.042 A 
ATOM     27  C   LIG    1        6.221   0.841   2.338  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1        6.628   2.115   2.734  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        6.235   3.232   2.001  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        4.955  -0.704   0.800  0.00  0.00    +0.051 C 
ATOM     31  C   LIG    1        5.430   3.078   0.872  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1        4.341  -0.732  -0.609  0.00  0.00    +0.089 C 
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH  18  19
ENDBRANCH   2  18
TORSDOF 8