REMARK  Name = BDB003178
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.058  -1.179   0.005  0.00  0.00    +0.265 C 
ATOM      2  N   LIG    1        0.233  -0.074  -0.149  0.00  0.00    -0.203 N 
ATOM      3  H   LIG    1        0.609   0.827  -0.414  0.00  0.00    +0.178 HD
ATOM      4  O   LIG    1        0.681  -2.334   0.176  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1   9
ATOM      5  C   LIG    1        6.713  -0.424  -0.532  0.00  0.00    +0.065 C 
ATOM      6  C   LIG    1        5.229  -0.575  -0.374  0.00  0.00    +0.038 A 
ATOM      7  N   LIG    1        4.679  -1.747  -0.770  0.00  0.00    -0.259 NA
ATOM      8  C   LIG    1        3.338  -1.893  -0.613  0.00  0.00    +0.124 A 
ATOM      9  C   LIG    1        2.509  -0.906  -0.101  0.00  0.00    +0.056 A 
ATOM     10  C   LIG    1        3.095   0.291   0.312  0.00  0.00    +0.016 A 
ATOM     11  C   LIG    1        4.473   0.459   0.173  0.00  0.00    +0.024 A 
ENDBRANCH   1   9
BRANCH   2  12
ATOM     12  N   LIG    1       -1.113  -0.215   0.007  0.00  0.00    -0.187 NA
ATOM     13  C   LIG    1       -1.827   0.812  -0.314  0.00  0.00    +0.140 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -3.291   0.776  -0.176  0.00  0.00    +0.025 A 
ATOM     15  C   LIG    1       -3.949   0.152   0.887  0.00  0.00    +0.135 A 
ATOM     16  C   LIG    1       -5.349   0.076   0.924  0.00  0.00    +0.033 A 
ATOM     17  C   LIG    1       -6.091   0.645  -0.111  0.00  0.00    +0.002 A 
ATOM     18  C   LIG    1       -5.442   1.293  -1.164  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1       -4.045   1.362  -1.199  0.00  0.00    +0.012 A 
BRANCH  15  20
ATOM     20  N   LIG    1       -3.218  -0.320   2.049  0.00  0.00    +0.057 N 
ATOM     21  O   LIG    1       -2.489   0.503   2.623  0.00  0.00    -0.126 OA
ATOM     22  O   LIG    1       -3.463  -1.469   2.442  0.00  0.00    -0.126 OA
ENDBRANCH  15  20
ENDBRANCH  13  14
ENDBRANCH   2  12
TORSDOF 4