REMARK  Name = BDB007281
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.506   1.378  -0.268  0.00  0.00    +0.061 A 
ATOM      2  C   LIG    1       -2.122   1.466  -0.096  0.00  0.00    +0.043 A 
ATOM      3  C   LIG    1       -1.322   0.334  -0.030  0.00  0.00    +0.076 A 
ATOM      4  N   LIG    1       -0.013   0.529   0.134  0.00  0.00    -0.212 NA
ATOM      5  C   LIG    1        0.792  -0.551   0.208  0.00  0.00    +0.223 A 
ATOM      6  C   LIG    1        0.350  -1.877   0.114  0.00  0.00    +0.044 A 
ATOM      7  C   LIG    1       -1.036  -2.089  -0.063  0.00  0.00    -0.004 A 
ATOM      8  C   LIG    1       -1.475  -3.436  -0.156  0.00  0.00    +0.009 A 
ATOM      9  C   LIG    1       -0.593  -4.517  -0.078  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        0.763  -4.290   0.096  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1        1.230  -2.983   0.192  0.00  0.00    +0.014 A 
ATOM     12  C   LIG    1       -1.906  -0.950  -0.137  0.00  0.00    +0.008 A 
ATOM     13  C   LIG    1       -3.312  -1.023  -0.311  0.00  0.00    +0.011 A 
ATOM     14  C   LIG    1       -4.102   0.126  -0.376  0.00  0.00    +0.016 A 
ENDROOT
BRANCH   1  16
ATOM     15  O   LIG    1       -5.578   2.577  -0.485  0.00  0.00    -0.245 OA
ATOM     16  C   LIG    1       -4.370   2.580  -0.340  0.00  0.00    +0.337 C 
BRANCH  16  17
ATOM     17  O   LIG    1       -3.680   3.728  -0.228  0.00  0.00    -0.477 OA
ATOM     18  H   LIG    1       -4.366   4.425  -0.289  0.00  0.00    +0.295 HD
ENDBRANCH  16  17
ENDBRANCH   1  16
BRANCH   5  19
ATOM     19  O   LIG    1        2.152  -0.345   0.373  0.00  0.00    -0.476 OA
BRANCH  19  20
ATOM     20  C   LIG    1        2.515   1.029   0.540  0.00  0.00    +0.233 C 
BRANCH  20  21
ATOM     21  C   LIG    1        4.032   1.088   0.697  0.00  0.00    +0.069 C 
BRANCH  21  22
ATOM     22  C   LIG    1        4.545   2.515   0.799  0.00  0.00    +0.159 C 
BRANCH  22  23
ATOM     23  O   LIG    1        4.027   3.135   1.966  0.00  0.00    -0.395 OA
ATOM     24  H   LIG    1        4.396   4.035   2.001  0.00  0.00    +0.209 HD
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH   5  19
TORSDOF 7