REMARK  Name = BDB018138
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.976  -1.710   1.516  0.00  0.00    +0.047 C 
ATOM      2  C   LIG    1       -0.886  -1.841   0.463  0.00  0.00    +0.122 C 
ATOM      3  C   LIG    1        0.529  -1.781   1.031  0.00  0.00    +0.198 C 
ATOM      4  C   LIG    1        1.332  -1.559  -0.255  0.00  0.00    +0.252 C 
ATOM      5  O   LIG    1        0.532  -0.749  -1.137  0.00  0.00    -0.344 OA
ATOM      6  C   LIG    1       -0.837  -0.768  -0.645  0.00  0.00    +0.192 C 
ENDROOT
BRANCH   4   7
ATOM      7  N   LIG    1        2.631  -0.930  -0.069  0.00  0.00    -0.303 N 
ATOM      8  C   LIG    1        2.874   0.274   0.547  0.00  0.00    +0.148 A 
ATOM      9  C   LIG    1        4.243   0.509   0.505  0.00  0.00    +0.058 A 
ATOM     10  C   LIG    1        4.699   1.704   1.082  0.00  0.00    +0.129 A 
ATOM     11  N   LIG    1        3.804   2.539   1.642  0.00  0.00    -0.220 NA
ATOM     12  C   LIG    1        2.504   2.193   1.611  0.00  0.00    +0.225 A 
ATOM     13  C   LIG    1        4.835  -0.600  -0.158  0.00  0.00    +0.033 A 
ATOM     14  N   LIG    1        1.951   1.080   1.100  0.00  0.00    -0.218 NA
ATOM     15  C   LIG    1        3.824  -1.473  -0.495  0.00  0.00    +0.091 A 
BRANCH  10  16
ATOM     16  N   LIG    1        6.034   2.075   1.129  0.00  0.00    -0.343 N 
ATOM     17  H   LIG    1        6.182   2.809   1.811  0.00  0.00    +0.144 HD
ATOM     18  H   LIG    1        6.696   1.312   1.130  0.00  0.00    +0.144 HD
ENDBRANCH  10  16
ENDBRANCH   4   7
BRANCH   3  19
ATOM     19  O   LIG    1        0.856  -3.000   1.709  0.00  0.00    -0.384 OA
ATOM     20  H   LIG    1        1.732  -2.871   2.118  0.00  0.00    +0.210 HD
ENDBRANCH   3  19
BRANCH   2  21
ATOM     21  O   LIG    1       -1.055  -3.138  -0.152  0.00  0.00    -0.383 OA
ATOM     22  H   LIG    1       -0.727  -3.783   0.508  0.00  0.00    +0.210 HD
ENDBRANCH   2  21
BRANCH   6  23
ATOM     23  C   LIG    1       -1.195   0.662  -0.217  0.00  0.00    +0.263 C 
BRANCH  23  24
ATOM     24  O   LIG    1       -2.591   0.822   0.034  0.00  0.00    -0.489 OA
BRANCH  24  25
ATOM     25  C   LIG    1       -3.417   1.102  -1.018  0.00  0.00    +0.121 A 
ATOM     26  C   LIG    1       -3.046   1.207  -2.359  0.00  0.00    +0.045 A 
ATOM     27  C   LIG    1       -4.007   1.495  -3.334  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1       -5.341   1.678  -2.974  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -5.717   1.573  -1.638  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1       -4.757   1.285  -0.667  0.00  0.00    +0.045 A 
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH   6  23
TORSDOF 7