REMARK  Name = BDB014503
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.550  -1.426  -0.742  0.00  0.00    +0.251 C 
ATOM      2  N   LIG    1        0.959  -2.103   0.306  0.00  0.00    -0.310 N 
ATOM      3  H   LIG    1        1.208  -1.762   1.231  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1        1.130  -1.483  -1.896  0.00  0.00    -0.272 OA
ENDROOT
BRANCH   1   5
ATOM      5  C   LIG    1        2.805  -0.641  -0.359  0.00  0.00    +0.324 C 
BRANCH   5   6
ATOM      6  O   LIG    1        2.763  -0.309   1.026  0.00  0.00    -0.481 OA
BRANCH   6  15
ATOM      7  C   LIG    1        6.407   1.020  -0.899  0.00  0.00    +0.215 A 
ATOM      8  N   LIG    1        5.262   0.560  -0.352  0.00  0.00    -0.209 NA
ATOM      9  C   LIG    1        4.873   1.018   0.864  0.00  0.00    +0.116 A 
ATOM     10  C   LIG    1        5.674   1.961   1.556  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1        5.303   2.442   2.822  0.00  0.00    +0.010 A 
ATOM     12  C   LIG    1        4.138   1.997   3.433  0.00  0.00    +0.004 A 
ATOM     13  C   LIG    1        3.338   1.073   2.774  0.00  0.00    +0.048 A 
ATOM     14  C   LIG    1        6.857   2.415   0.960  0.00  0.00    +0.015 A 
ATOM     15  C   LIG    1        3.689   0.593   1.501  0.00  0.00    +0.147 A 
ATOM     16  C   LIG    1        7.232   1.940  -0.288  0.00  0.00    +0.068 A 
BRANCH   7  18
ATOM     17  C   LIG    1        5.907  -0.361  -2.723  0.00  0.00    +0.279 C 
ATOM     18  O   LIG    1        6.812   0.571  -2.140  0.00  0.00    -0.480 OA
ENDBRANCH   7  18
ENDBRANCH   6  15
ENDBRANCH   5   6
ENDBRANCH   1   5
BRANCH   2  19
ATOM     19  C   LIG    1       -0.337  -2.739   0.153  0.00  0.00    +0.136 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -1.485  -1.730   0.349  0.00  0.00    +0.145 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -1.450  -1.282   1.717  0.00  0.00    -0.389 OA
ATOM     22  H   LIG    1       -1.800  -2.000   2.270  0.00  0.00    +0.210 HD
ENDBRANCH  20  21
BRANCH  20  23
ATOM     23  C   LIG    1       -2.844  -2.394   0.010  0.00  0.00    +0.117 C 
BRANCH  23  24
ATOM     24  N   LIG    1       -4.047  -1.547  -0.058  0.00  0.00    -0.295 NA
ATOM     25  C   LIG    1       -4.023  -0.638  -1.218  0.00  0.00    +0.120 C 
ATOM     26  C   LIG    1       -5.250   0.248  -1.309  0.00  0.00    -0.030 A 
ATOM     27  C   LIG    1       -6.044   0.498  -0.175  0.00  0.00    -0.042 A 
ATOM     28  C   LIG    1       -7.153   1.349  -0.274  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1       -7.458   1.968  -1.486  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -6.663   1.738  -2.607  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -5.737  -0.200   1.126  0.00  0.00    +0.051 C 
ATOM     32  C   LIG    1       -5.562   0.885  -2.519  0.00  0.00    +0.005 A 
ATOM     33  C   LIG    1       -4.316  -0.783   1.165  0.00  0.00    +0.089 C 
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH  19  20
ENDBRANCH   2  19
TORSDOF 9