REMARK  Name = BDB003164
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.098   0.180  -0.200  0.00  0.00    -0.205 N 
ATOM      2  H   LIG    1        0.676   0.620   0.303  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1        0.315  -1.014  -0.808  0.00  0.00    +0.249 C 
ATOM      4  O   LIG    1       -0.418  -1.940  -1.145  0.00  0.00    -0.272 OA
ENDROOT
BRANCH   1   8
ATOM      5  C   LIG    1       -4.933   0.516   0.226  0.00  0.00    +0.024 C 
ATOM      6  C   LIG    1       -3.613  -0.033   0.765  0.00  0.00    +0.065 C 
ATOM      7  C   LIG    1       -2.406   0.249  -0.140  0.00  0.00    +0.062 C 
ATOM      8  N   LIG    1       -1.272   0.183   0.493  0.00  0.00    -0.185 NA
ATOM      9  C   LIG    1       -2.680   0.535  -1.601  0.00  0.00    -0.032 C 
ATOM     10  C   LIG    1       -1.605   1.050  -2.508  0.00  0.00    +0.045 C 
ATOM     11  C   LIG    1       -3.936   0.382  -2.059  0.00  0.00    -0.021 C 
ATOM     12  C   LIG    1       -5.118   0.017  -1.215  0.00  0.00    +0.035 C 
BRANCH   5  14
ATOM     13  C   LIG    1       -7.061  -0.689   0.946  0.00  0.00    +0.007 C 
ATOM     14  C   LIG    1       -6.093   0.216   1.177  0.00  0.00    -0.076 C 
ATOM     15  C   LIG    1       -6.128   1.044   2.439  0.00  0.00    +0.039 C 
ENDBRANCH   5  14
ENDBRANCH   1   8
BRANCH   3  16
ATOM     16  C   LIG    1        1.822  -1.014  -1.075  0.00  0.00    +0.199 C 
BRANCH  16  17
ATOM     17  N   LIG    1        2.530  -0.408   0.069  0.00  0.00    -0.335 N 
ATOM     18  H   LIG    1        2.297  -0.900   0.934  0.00  0.00    +0.147 HD
BRANCH  17  19
ATOM     19  C   LIG    1        3.922  -0.221   0.003  0.00  0.00    +0.030 A 
ATOM     20  C   LIG    1        4.634   0.092   1.184  0.00  0.00    -0.029 A 
ATOM     21  C   LIG    1        3.947   0.169   2.523  0.00  0.00    +0.045 C 
ATOM     22  C   LIG    1        6.021   0.329   1.132  0.00  0.00    +0.008 A 
ATOM     23  C   LIG    1        6.718   0.293  -0.078  0.00  0.00    -0.050 A 
ATOM     24  C   LIG    1        8.187   0.585  -0.123  0.00  0.00    +0.044 C 
ATOM     25  C   LIG    1        6.005   0.050  -1.251  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1        4.628  -0.194  -1.208  0.00  0.00    +0.023 A 
ENDBRANCH  17  19
ENDBRANCH  16  17
ENDBRANCH   3  16
TORSDOF 5