REMARK  Name = BDB004113
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.467  -0.913   0.234  0.00  0.00    -0.039 A 
ATOM      2  C   LIG    1        0.059  -0.790   0.258  0.00  0.00    -0.008 A 
ATOM      3  C   LIG    1       -0.680  -1.175  -0.876  0.00  0.00    +0.047 A 
ATOM      4  C   LIG    1       -2.166  -1.067  -0.871  0.00  0.00    +0.260 A 
ATOM      5  N   LIG    1       -2.770  -0.625   0.313  0.00  0.00    -0.303 N 
ATOM      6  C   LIG    1       -2.015  -0.207   1.395  0.00  0.00    +0.090 A 
ATOM      7  O   LIG    1       -2.802  -1.375  -1.878  0.00  0.00    -0.267 OA
ATOM      8  C   LIG    1       -0.040  -1.672  -2.019  0.00  0.00    +0.014 A 
ATOM      9  C   LIG    1        1.344  -1.795  -2.040  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -0.680  -0.271   1.413  0.00  0.00    +0.027 A 
ATOM     11  C   LIG    1        2.089  -1.421  -0.923  0.00  0.00    +0.004 A 
ENDROOT
BRANCH   5  12
ATOM     12  C   LIG    1       -4.242  -0.474   0.312  0.00  0.00    +0.176 C 
ATOM     13  C   LIG    1       -4.629   0.996   0.037  0.00  0.00    +0.242 C 
ATOM     14  O   LIG    1       -3.837   1.937   0.128  0.00  0.00    -0.273 OA
ATOM     15  N   LIG    1       -5.947   1.293  -0.234  0.00  0.00    -0.255 N 
ATOM     16  H   LIG    1       -6.040   2.303  -0.240  0.00  0.00    +0.158 HD
ATOM     17  C   LIG    1       -7.039   0.723   0.373  0.00  0.00    +0.219 C 
ATOM     18  O   LIG    1       -7.882   1.420   0.932  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1       -7.139  -0.780   0.331  0.00  0.00    +0.096 C 
ATOM     20  C   LIG    1       -6.336  -1.465   1.425  0.00  0.00    +0.012 C 
ATOM     21  C   LIG    1       -4.901  -0.965   1.610  0.00  0.00    +0.035 C 
ENDBRANCH   5  12
BRANCH   1  22
ATOM     22  C   LIG    1        2.359  -0.508   1.391  0.00  0.00    +0.047 C 
BRANCH  22  23
ATOM     23  C   LIG    1        2.628   0.994   1.455  0.00  0.00    +0.125 C 
BRANCH  23  24
ATOM     24  C   LIG    1        3.468   1.514   0.313  0.00  0.00    +0.308 C 
ATOM     25  O   LIG    1        3.175   2.506  -0.339  0.00  0.00    -0.251 OA
BRANCH  24  26
ATOM     26  O   LIG    1        4.604   0.781   0.178  0.00  0.00    -0.459 OA
BRANCH  26  28
ATOM     27  C   LIG    1        6.214   2.509  -0.513  0.00  0.00    +0.055 C 
ATOM     28  C   LIG    1        5.603   1.136  -0.813  0.00  0.00    +0.105 C 
ATOM     29  C   LIG    1        5.041   1.060  -2.237  0.00  0.00    +0.055 C 
ATOM     30  C   LIG    1        6.697   0.068  -0.661  0.00  0.00    +0.055 C 
ENDBRANCH  26  28
ENDBRANCH  24  26
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH   1  22
TORSDOF 6