REMARK  Name = BDB021288
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.639   0.543  -0.113  0.00  0.00    +0.045 A 
ATOM      2  C   LIG    1        1.377   0.137  -1.453  0.00  0.00    +0.151 A 
ATOM      3  N   LIG    1        0.083   0.294  -1.915  0.00  0.00    -0.270 N 
ATOM      4  C   LIG    1        0.053  -0.192  -3.202  0.00  0.00    +0.134 A 
ATOM      5  C   LIG    1        1.342  -0.599  -3.462  0.00  0.00    +0.159 A 
ATOM      6  C   LIG    1       -0.951   0.846  -1.131  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1       -0.687   1.221   0.089  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        2.158  -0.387  -2.379  0.00  0.00    -0.217 NA
ATOM      9  C   LIG    1        0.596   1.067   0.566  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1        5.414   0.223   1.794  0.00  0.00    +0.232 A 
ATOM     11  C   LIG    1        5.370   0.762   0.514  0.00  0.00    +0.114 A 
ATOM     12  C   LIG    1        4.124   0.872  -0.115  0.00  0.00    +0.034 A 
ATOM     13  C   LIG    1        2.962   0.450   0.542  0.00  0.00    +0.007 A 
ATOM     14  C   LIG    1        3.124  -0.090   1.817  0.00  0.00    +0.123 A 
ATOM     15  N   LIG    1        4.313  -0.204   2.457  0.00  0.00    -0.220 NA
BRANCH  10  17
ATOM     16  C   LIG    1        6.588  -0.463   3.708  0.00  0.00    +0.279 C 
ATOM     17  O   LIG    1        6.645   0.124   2.412  0.00  0.00    -0.479 OA
ENDBRANCH  10  17
BRANCH  11  18
ATOM     18  C   LIG    1        6.553   1.203  -0.155  0.00  0.00    +0.105 C 
ATOM     19  N   LIG    1        7.490   1.581  -0.728  0.00  0.00    -0.191 NA
ENDBRANCH  11  18
ENDBRANCH   1  13
BRANCH   5  20
ATOM     20  C   LIG    1        1.833  -1.182  -4.674  0.00  0.00    +0.121 C 
ATOM     21  N   LIG    1        2.189  -1.649  -5.676  0.00  0.00    -0.189 NA
ENDBRANCH   5  20
BRANCH   6  22
ATOM     22  N   LIG    1       -2.208   0.965  -1.691  0.00  0.00    -0.310 N 
ATOM     23  H   LIG    1       -2.258   1.060  -2.697  0.00  0.00    +0.149 HD
BRANCH  22  24
ATOM     24  C   LIG    1       -3.302   1.628  -0.996  0.00  0.00    +0.143 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -3.882   0.775   0.097  0.00  0.00    +0.012 A 
ATOM     26  C   LIG    1       -4.276  -0.549  -0.085  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1       -4.164  -1.431  -1.272  0.00  0.00    +0.080 C 
ATOM     28  C   LIG    1       -5.066  -2.578  -0.816  0.00  0.00    +0.234 C 
ATOM     29  O   LIG    1       -5.134  -2.577   0.627  0.00  0.00    -0.491 OA
ATOM     30  C   LIG    1       -4.813  -1.287   0.964  0.00  0.00    +0.124 A 
ATOM     31  C   LIG    1       -4.989  -0.759   2.227  0.00  0.00    +0.049 A 
ATOM     32  C   LIG    1       -4.627   0.571   2.427  0.00  0.00    +0.042 A 
ATOM     33  C   LIG    1       -4.090   1.322   1.372  0.00  0.00    +0.129 A 
ATOM     34  F   LIG    1       -3.777   2.605   1.605  0.00  0.00    -0.205 F 
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH   6  22
TORSDOF 7