REMARK  Name = BDB047384
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.321  -0.855   1.512  0.00  0.00    +0.153 C 
ENDROOT
BRANCH   1   3
ATOM      2  C   LIG    1        2.787  -0.278   1.515  0.00  0.00    +0.220 A 
ATOM      3  C   LIG    1        1.735  -1.051   2.013  0.00  0.00    +0.043 A 
ATOM      4  C   LIG    1        2.049  -1.984   3.010  0.00  0.00    +0.013 A 
ATOM      5  C   LIG    1        3.361  -2.117   3.453  0.00  0.00    +0.020 A 
ATOM      6  C   LIG    1        4.326  -1.304   2.888  0.00  0.00    +0.114 A 
ATOM      7  N   LIG    1        4.069  -0.387   1.933  0.00  0.00    -0.221 NA
BRANCH   2   8
ATOM      8  O   LIG    1        2.474   0.654   0.544  0.00  0.00    -0.476 OA
BRANCH   8   9
ATOM      9  C   LIG    1        3.579   1.413   0.047  0.00  0.00    +0.231 C 
BRANCH   9  10
ATOM     10  C   LIG    1        4.278   0.670  -1.093  0.00  0.00    +0.041 C 
BRANCH  10  11
ATOM     11  C   LIG    1        5.414   1.502  -1.686  0.00  0.00    +0.003 C 
BRANCH  11  13
ATOM     12  C   LIG    1        5.396   0.451  -4.011  0.00  0.00    +0.004 C 
ATOM     13  C   LIG    1        6.209   0.762  -2.764  0.00  0.00    -0.003 C 
ENDBRANCH  11  13
ENDBRANCH  10  11
ENDBRANCH   9  10
ENDBRANCH   8   9
ENDBRANCH   2   8
ENDBRANCH   1   3
BRANCH   1  14
ATOM     14  O   LIG    1       -0.438  -2.050   1.750  0.00  0.00    -0.387 OA
ATOM     15  H   LIG    1       -1.359  -1.849   1.514  0.00  0.00    +0.210 HD
ENDBRANCH   1  14
BRANCH   1  16
ATOM     16  C   LIG    1       -0.356   0.338   2.220  0.00  0.00    +0.063 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -1.689   0.813   1.681  0.00  0.00    -0.028 C 
ATOM     18  C   LIG    1       -2.263   0.500   0.508  0.00  0.00    -0.031 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -3.594   1.041   0.064  0.00  0.00    +0.027 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -4.612  -0.085  -0.125  0.00  0.00    +0.015 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -5.962   0.462  -0.585  0.00  0.00    +0.121 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -6.978  -0.639  -0.779  0.00  0.00    +0.307 C 
ATOM     23  O   LIG    1       -6.773  -1.833  -0.610  0.00  0.00    -0.251 OA
BRANCH  22  24
ATOM     24  O   LIG    1       -8.164  -0.096  -1.175  0.00  0.00    -0.468 OA
ATOM     25  C   LIG    1       -9.199  -1.056  -1.388  0.00  0.00    +0.280 C 
ENDBRANCH  22  24
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 14