REMARK  Name = BDB037927
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.705   0.461   0.432  0.00  0.00    +0.203 A 
ATOM      2  C   LIG    1       -0.941   1.158  -0.495  0.00  0.00    +0.095 A 
ATOM      3  C   LIG    1       -1.504   2.467  -0.567  0.00  0.00    +0.033 A 
ATOM      4  C   LIG    1       -2.523   2.497   0.377  0.00  0.00    +0.137 A 
ATOM      5  C   LIG    1       -3.313   3.613   0.642  0.00  0.00    +0.047 A 
ATOM      6  C   LIG    1       -3.044   4.762  -0.109  0.00  0.00    +0.004 A 
ATOM      7  C   LIG    1       -2.031   4.774  -1.071  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -1.250   3.635  -1.312  0.00  0.00    +0.012 A 
ATOM      9  O   LIG    1       -2.635   1.291   0.993  0.00  0.00    -0.449 OA
ENDROOT
BRANCH   2  10
ATOM     10  C   LIG    1        0.166   0.624  -1.262  0.00  0.00    +0.251 C 
ATOM     11  N   LIG    1        1.063  -0.159  -0.563  0.00  0.00    -0.295 N 
ATOM     12  C   LIG    1        1.617   0.109   0.768  0.00  0.00    +0.126 C 
ATOM     13  C   LIG    1        2.729  -0.891   0.387  0.00  0.00    +0.087 C 
ATOM     14  C   LIG    1        4.178  -0.565   0.845  0.00  0.00    +0.229 C 
ATOM     15  O   LIG    1        4.812   0.472   0.716  0.00  0.00    -0.275 OA
ATOM     16  N   LIG    1        4.676  -1.679   1.447  0.00  0.00    -0.256 N 
ATOM     17  H   LIG    1        5.612  -1.726   1.818  0.00  0.00    +0.157 HD
ATOM     18  C   LIG    1        3.819  -2.740   1.478  0.00  0.00    +0.220 C 
ATOM     19  O   LIG    1        4.076  -3.838   1.940  0.00  0.00    -0.275 OA
ATOM     20  C   LIG    1        2.507  -2.339   0.843  0.00  0.00    +0.115 C 
ATOM     21  C   LIG    1        2.362  -0.590  -1.082  0.00  0.00    +0.126 C 
ATOM     22  O   LIG    1        0.283   0.845  -2.464  0.00  0.00    -0.270 OA
ENDBRANCH   2  10
BRANCH   1  25
ATOM     23  C   LIG    1       -1.600  -3.300   0.315  0.00  0.00    +0.132 C 
ATOM     24  N   LIG    1       -1.781  -1.918  -0.092  0.00  0.00    -0.301 N 
ATOM     25  C   LIG    1       -1.664  -0.916   0.879  0.00  0.00    +0.282 C 
ATOM     26  O   LIG    1       -1.482  -1.198   2.064  0.00  0.00    -0.267 OA
ATOM     27  C   LIG    1       -2.354  -1.716  -1.418  0.00  0.00    +0.132 C 
ENDBRANCH   1  25
TORSDOF 2