REMARK  Name = BDB004401
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.299  -0.704   0.179  0.00  0.00    +0.103 C 
ENDROOT
BRANCH   1   4
ATOM      2  N   LIG    1       -2.079  -0.447   0.447  0.00  0.00    -0.309 N 
ATOM      3  H   LIG    1       -1.893   0.525   0.236  0.00  0.00    +0.149 HD
ATOM      4  C   LIG    1       -1.038  -1.344   0.479  0.00  0.00    +0.214 C 
ATOM      5  O   LIG    1       -1.176  -2.537   0.725  0.00  0.00    -0.276 OA
BRANCH   2   7
ATOM      6  C   LIG    1       -3.695  -1.041   2.211  0.00  0.00    +0.033 C 
ATOM      7  C   LIG    1       -3.453  -0.840   0.712  0.00  0.00    +0.100 C 
BRANCH   7   8
ATOM      8  C   LIG    1       -4.395   0.178   0.094  0.00  0.00    -0.027 A 
ATOM      9  C   LIG    1       -5.046  -0.124  -1.113  0.00  0.00    +0.005 A 
ATOM     10  C   LIG    1       -5.899   0.802  -1.716  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1       -6.106   2.047  -1.127  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1       -5.458   2.368   0.063  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1       -4.605   1.443   0.668  0.00  0.00    +0.005 A 
ENDBRANCH   7   8
ENDBRANCH   2   7
ENDBRANCH   1   4
BRANCH   1  14
ATOM     14  C   LIG    1        1.428  -1.725   0.222  0.00  0.00    +0.083 C 
BRANCH  14  15
ATOM     15  C   LIG    1        2.783  -1.126  -0.068  0.00  0.00    +0.111 A 
ATOM     16  N   LIG    1        3.820  -2.023  -0.049  0.00  0.00    -0.310 N 
ATOM     17  H   LIG    1        3.657  -3.001   0.146  0.00  0.00    +0.170 HD
ATOM     18  C   LIG    1        5.125  -1.674  -0.287  0.00  0.00    +0.259 A 
ATOM     19  O   LIG    1        6.034  -2.494  -0.264  0.00  0.00    -0.267 OA
ATOM     20  C   LIG    1        5.357  -0.248  -0.571  0.00  0.00    +0.065 A 
ATOM     21  C   LIG    1        4.244   0.597  -0.571  0.00  0.00    +0.078 A 
ATOM     22  C   LIG    1        4.438   1.954  -0.838  0.00  0.00    +0.028 A 
ATOM     23  C   LIG    1        5.718   2.452  -1.099  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1        6.820   1.595  -1.096  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1        6.643   0.237  -0.831  0.00  0.00    +0.015 A 
ATOM     26  N   LIG    1        2.942   0.134  -0.312  0.00  0.00    -0.234 NA
ENDBRANCH  14  15
ENDBRANCH   1  14
TORSDOF 5