REMARK  Name = BDB025593
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.625  -1.124  -0.862  0.00  0.00    +0.164 C 
ATOM      2  N   LIG    1       -1.783  -0.450   0.126  0.00  0.00    -0.286 N 
ATOM      3  C   LIG    1       -1.008   0.628  -0.245  0.00  0.00    +0.241 C 
ATOM      4  O   LIG    1       -0.987   1.015  -1.418  0.00  0.00    -0.273 OA
ATOM      5  C   LIG    1       -1.744  -1.201   1.372  0.00  0.00    +0.140 C 
ATOM      6  C   LIG    1       -2.124  -2.621   0.951  0.00  0.00    +0.134 C 
ATOM      7  C   LIG    1       -3.135  -2.393  -0.165  0.00  0.00    +0.065 C 
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1       -5.453   0.221  -3.024  0.00  0.00    +0.128 C 
ATOM      9  N   LIG    1       -4.376  -0.569  -2.484  0.00  0.00    -0.317 N 
ATOM     10  H   LIG    1       -3.780  -1.055  -3.142  0.00  0.00    +0.148 HD
ATOM     11  C   LIG    1       -3.830  -0.248  -1.254  0.00  0.00    +0.233 C 
ATOM     12  O   LIG    1       -4.314   0.600  -0.505  0.00  0.00    -0.274 OA
ENDBRANCH   1  11
BRANCH   6  13
ATOM     13  O   LIG    1       -1.002  -3.315   0.404  0.00  0.00    -0.390 OA
ATOM     14  H   LIG    1       -0.282  -3.288   1.060  0.00  0.00    +0.210 HD
ENDBRANCH   6  13
BRANCH   3  15
ATOM     15  C   LIG    1       -0.165   1.316   0.834  0.00  0.00    +0.197 C 
BRANCH  15  16
ATOM     16  N   LIG    1        1.134   0.661   0.878  0.00  0.00    -0.239 N 
ATOM     17  N   LIG    1        1.565   0.095   2.024  0.00  0.00    -0.065 NA
ATOM     18  N   LIG    1        2.751  -0.447   1.782  0.00  0.00    -0.134 NA
ATOM     19  C   LIG    1        3.065  -0.201   0.476  0.00  0.00    +0.086 A 
ATOM     20  C   LIG    1        2.051   0.505  -0.122  0.00  0.00    +0.134 A 
BRANCH  19  21
ATOM     21  C   LIG    1        4.367  -0.660  -0.218  0.00  0.00    +0.041 C 
ATOM     22  C   LIG    1        4.699  -2.165  -0.063  0.00  0.00    +0.010 C 
ATOM     23  C   LIG    1        6.178  -1.747   0.072  0.00  0.00    +0.001 C 
ATOM     24  C   LIG    1        5.670  -0.378   0.570  0.00  0.00    +0.010 C 
ENDBRANCH  19  21
ENDBRANCH  15  16
BRANCH  15  25
ATOM     25  C   LIG    1       -0.049   2.846   0.593  0.00  0.00    +0.016 C 
ATOM     26  C   LIG    1       -1.430   3.514   0.636  0.00  0.00    +0.010 C 
ATOM     27  C   LIG    1        0.853   3.523   1.633  0.00  0.00    +0.010 C 
ENDBRANCH  15  25
ENDBRANCH   3  15
TORSDOF 6