REMARK  Name = BDB003606
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.464  -0.124   3.781  0.00  0.00    +0.152 C 
ATOM      2  N   LIG    1       -4.715   0.035   2.349  0.00  0.00    -0.307 N 
ATOM      3  C   LIG    1       -3.577   0.191   1.492  0.00  0.00    +0.106 A 
ATOM      4  C   LIG    1       -3.568   0.882   0.282  0.00  0.00    +0.163 A 
ATOM      5  N   LIG    1       -2.417   1.087  -0.414  0.00  0.00    -0.195 NA
ATOM      6  C   LIG    1       -1.262   0.592   0.051  0.00  0.00    +0.221 A 
ATOM      7  N   LIG    1       -1.180  -0.090   1.192  0.00  0.00    -0.220 NA
ATOM      8  N   LIG    1       -4.761   1.433  -0.254  0.00  0.00    -0.326 N 
ATOM      9  C   LIG    1       -4.505   2.506  -1.220  0.00  0.00    +0.151 C 
ATOM     10  C   LIG    1       -5.866   0.595  -0.502  0.00  0.00    +0.056 A 
ATOM     11  C   LIG    1       -6.455  -0.142   0.533  0.00  0.00    +0.063 A 
ATOM     12  C   LIG    1       -7.554  -0.988   0.276  0.00  0.00    +0.015 A 
ATOM     13  C   LIG    1       -8.068  -1.126  -1.010  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -7.494  -0.409  -2.048  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1       -6.412   0.440  -1.796  0.00  0.00    +0.026 A 
ATOM     16  C   LIG    1       -2.326  -0.264   1.880  0.00  0.00    +0.144 A 
ATOM     17  C   LIG    1       -6.056  -0.006   1.952  0.00  0.00    +0.261 A 
ATOM     18  O   LIG    1       -6.975  -0.049   2.778  0.00  0.00    -0.267 OA
ENDROOT
BRANCH   6  19
ATOM     19  N   LIG    1       -0.150   0.846  -0.745  0.00  0.00    -0.284 N 
ATOM     20  H   LIG    1       -0.442   1.362  -1.561  0.00  0.00    +0.155 HD
BRANCH  19  21
ATOM     21  C   LIG    1        1.204   0.515  -0.658  0.00  0.00    +0.034 A 
ATOM     22  C   LIG    1        2.070   0.948  -1.668  0.00  0.00    +0.025 A 
ATOM     23  C   LIG    1        3.442   0.654  -1.636  0.00  0.00    +0.025 A 
ATOM     24  C   LIG    1        4.019  -0.085  -0.595  0.00  0.00    +0.030 A 
ATOM     25  C   LIG    1        3.142  -0.516   0.408  0.00  0.00    +0.025 A 
ATOM     26  C   LIG    1        1.767  -0.221   0.381  0.00  0.00    +0.025 A 
BRANCH  24  27
ATOM     27  N   LIG    1        5.377  -0.379  -0.572  0.00  0.00    -0.330 N 
ATOM     28  C   LIG    1        5.899  -1.464   0.262  0.00  0.00    +0.107 C 
ATOM     29  C   LIG    1        7.202  -2.007  -0.320  0.00  0.00    +0.050 C 
ATOM     30  C   LIG    1        8.257  -0.915  -0.485  0.00  0.00    +0.118 C 
ATOM     31  C   LIG    1        7.673   0.493  -0.522  0.00  0.00    +0.050 C 
ATOM     32  C   LIG    1        6.332   0.510  -1.243  0.00  0.00    +0.107 C 
BRANCH  30  33
ATOM     33  O   LIG    1        9.223  -0.999   0.563  0.00  0.00    -0.392 OA
ATOM     34  H   LIG    1        8.775  -0.807   1.405  0.00  0.00    +0.210 HD
ENDBRANCH  30  33
ENDBRANCH  24  27
ENDBRANCH  19  21
ENDBRANCH   6  19
TORSDOF 4