REMARK  Name = BDB048295
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.098   0.293   0.115  0.00  0.00    +0.023 A 
ATOM      2  C   LIG    1        1.013   0.155   1.170  0.00  0.00    +0.015 A 
ATOM      3  C   LIG    1        2.321   0.635   1.049  0.00  0.00    +0.047 A 
ATOM      4  C   LIG    1        2.729   1.246  -0.138  0.00  0.00    +0.128 A 
ATOM      5  C   LIG    1        1.826   1.412  -1.186  0.00  0.00    +0.047 A 
ATOM      6  C   LIG    1        0.519   0.931  -1.063  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1       -3.259  -0.652  -0.288  0.00  0.00    +0.248 A 
ATOM      8  O   LIG    1       -3.074  -1.108   0.985  0.00  0.00    -0.336 OA
ATOM      9  N   LIG    1       -1.758  -0.811   1.327  0.00  0.00    -0.056 NA
ATOM     10  C   LIG    1       -1.269  -0.205   0.231  0.00  0.00    +0.202 A 
ATOM     11  N   LIG    1       -2.185  -0.090  -0.794  0.00  0.00    -0.190 NA
BRANCH   7  12
ATOM     12  C   LIG    1       -4.615  -0.840  -0.884  0.00  0.00    +0.159 C 
ATOM     13  C   LIG    1       -4.952  -2.323  -1.025  0.00  0.00    +0.038 C 
BRANCH  12  16
ATOM     14  C   LIG    1       -7.743   0.869   0.425  0.00  0.00    +0.109 C 
ATOM     15  C   LIG    1       -6.821   0.225  -0.574  0.00  0.00    +0.211 C 
ATOM     16  N   LIG    1       -5.602  -0.148  -0.063  0.00  0.00    -0.304 N 
ATOM     17  H   LIG    1       -5.447  -0.093   0.936  0.00  0.00    +0.149 HD
ATOM     18  O   LIG    1       -7.148   0.041  -1.741  0.00  0.00    -0.276 OA
ENDBRANCH  12  16
ENDBRANCH   7  12
ENDBRANCH   1  10
BRANCH   4  19
ATOM     19  O   LIG    1        3.989   1.773  -0.310  0.00  0.00    -0.456 OA
BRANCH  19  20
ATOM     20  C   LIG    1        5.059   0.992   0.064  0.00  0.00    +0.129 A 
ATOM     21  C   LIG    1        5.188  -0.345  -0.320  0.00  0.00    +0.050 A 
ATOM     22  C   LIG    1        6.317  -1.068   0.065  0.00  0.00    +0.049 A 
ATOM     23  C   LIG    1        7.312  -0.447   0.813  0.00  0.00    +0.117 A 
ATOM     24  C   LIG    1        7.202   0.892   1.179  0.00  0.00    +0.049 A 
ATOM     25  C   LIG    1        6.072   1.616   0.795  0.00  0.00    +0.050 A 
BRANCH  23  26
ATOM     26  O   LIG    1        8.398  -1.192   1.165  0.00  0.00    -0.507 OA
ATOM     27  H   LIG    1        9.011  -0.630   1.668  0.00  0.00    +0.292 HD
ENDBRANCH  23  26
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 6