REMARK  Name = BDB025573
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.103   0.088  -0.546  0.00  0.00    +0.164 C 
ATOM      2  N   LIG    1       -1.753  -0.799   0.568  0.00  0.00    -0.286 N 
ATOM      3  C   LIG    1       -0.576  -1.488   0.796  0.00  0.00    +0.241 C 
ATOM      4  O   LIG    1       -0.393  -2.050   1.878  0.00  0.00    -0.273 OA
ATOM      5  C   LIG    1       -2.799  -0.771   1.583  0.00  0.00    +0.140 C 
ATOM      6  C   LIG    1       -3.989  -0.052   0.933  0.00  0.00    +0.134 C 
ATOM      7  C   LIG    1       -3.627   0.024  -0.555  0.00  0.00    +0.065 C 
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1       -1.136   3.676  -1.401  0.00  0.00    +0.128 C 
ATOM      9  N   LIG    1       -1.539   2.293  -1.469  0.00  0.00    -0.317 N 
ATOM     10  H   LIG    1       -1.198   1.783  -2.277  0.00  0.00    +0.148 HD
ATOM     11  C   LIG    1       -1.670   1.556  -0.306  0.00  0.00    +0.233 C 
ATOM     12  O   LIG    1       -1.546   2.038   0.817  0.00  0.00    -0.274 OA
ENDBRANCH   1  11
BRANCH   6  13
ATOM     13  O   LIG    1       -5.215  -0.754   1.098  0.00  0.00    -0.390 OA
ATOM     14  H   LIG    1       -5.081  -1.678   0.826  0.00  0.00    +0.210 HD
ENDBRANCH   6  13
BRANCH   3  15
ATOM     15  C   LIG    1        0.460  -1.566  -0.339  0.00  0.00    +0.200 C 
BRANCH  15  16
ATOM     16  N   LIG    1        1.127  -0.281  -0.479  0.00  0.00    -0.239 N 
ATOM     17  N   LIG    1        1.134   0.337  -1.682  0.00  0.00    -0.065 NA
ATOM     18  N   LIG    1        1.754   1.499  -1.527  0.00  0.00    -0.134 NA
ATOM     19  C   LIG    1        2.118   1.609  -0.215  0.00  0.00    +0.086 A 
ATOM     20  C   LIG    1        1.727   0.488   0.472  0.00  0.00    +0.134 A 
BRANCH  19  21
ATOM     21  C   LIG    1        2.855   2.839   0.362  0.00  0.00    +0.041 C 
ATOM     22  C   LIG    1        2.040   3.904   1.052  0.00  0.00    +0.010 C 
ATOM     23  C   LIG    1        2.988   3.055   1.847  0.00  0.00    +0.010 C 
ENDBRANCH  19  21
ENDBRANCH  15  16
BRANCH  15  24
ATOM     24  C   LIG    1        1.448  -2.790  -0.290  0.00  0.00    -0.007 C 
ATOM     25  C   LIG    1        2.436  -2.759   0.891  0.00  0.00    +0.013 C 
ATOM     26  C   LIG    1        0.645  -4.109  -0.231  0.00  0.00    +0.013 C 
ATOM     27  C   LIG    1        2.283  -2.831  -1.594  0.00  0.00    +0.013 C 
ENDBRANCH  15  24
ENDBRANCH   3  15
TORSDOF 6