REMARK  Name = BDB012809
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.295  -0.872   1.310  0.00  0.00    +0.057 C 
ATOM      2  C   LIG    1       -0.227  -0.659   1.226  0.00  0.00    +0.117 C 
ATOM      3  N   LIG    1       -0.537   0.406   2.175  0.00  0.00    -0.296 N 
ATOM      4  C   LIG    1       -1.651   1.229   2.189  0.00  0.00    +0.264 C 
ATOM      5  O   LIG    1       -1.646   2.272   2.845  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1        0.654   0.807   2.899  0.00  0.00    +0.109 C 
ATOM      7  C   LIG    1        1.628  -0.347   2.710  0.00  0.00    +0.030 C 
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1        1.678   2.937  -1.738  0.00  0.00    +0.065 C 
ATOM      9  C   LIG    1        2.280   1.675  -1.196  0.00  0.00    +0.039 A 
ATOM     10  N   LIG    1        1.573   1.007  -0.258  0.00  0.00    -0.256 NA
ATOM     11  C   LIG    1        2.080  -0.144   0.237  0.00  0.00    +0.047 A 
ATOM     12  C   LIG    1        3.313  -0.643  -0.176  0.00  0.00    +0.033 A 
ATOM     13  C   LIG    1        4.049   0.053  -1.137  0.00  0.00    +0.003 A 
ATOM     14  C   LIG    1        3.514   1.232  -1.658  0.00  0.00    +0.033 A 
BRANCH  13  15
ATOM     15  C   LIG    1        5.345  -0.456  -1.583  0.00  0.00    +0.066 A 
ATOM     16  N   LIG    1        6.402   0.346  -1.938  0.00  0.00    -0.277 N 
ATOM     17  H   LIG    1        6.443   1.359  -1.932  0.00  0.00    +0.189 HD
ATOM     18  N   LIG    1        7.502  -0.327  -2.314  0.00  0.00    -0.182 NA
ATOM     19  C   LIG    1        7.146  -1.605  -2.183  0.00  0.00    +0.135 A 
ATOM     20  C   LIG    1        5.824  -1.745  -1.727  0.00  0.00    +0.049 A 
ENDBRANCH  13  15
ENDBRANCH   1  11
BRANCH   4  21
ATOM     21  C   LIG    1       -2.826   0.865   1.433  0.00  0.00    +0.121 A 
ATOM     22  N   LIG    1       -3.797   1.800   1.182  0.00  0.00    -0.272 N 
ATOM     23  H   LIG    1       -3.788   2.771   1.478  0.00  0.00    +0.189 HD
ATOM     24  N   LIG    1       -4.838   1.345   0.466  0.00  0.00    -0.178 NA
ATOM     25  C   LIG    1       -4.557   0.051   0.279  0.00  0.00    +0.066 A 
ATOM     26  C   LIG    1       -3.318  -0.297   0.873  0.00  0.00    +0.057 A 
BRANCH  25  27
ATOM     27  C   LIG    1       -5.497  -0.849  -0.471  0.00  0.00    +0.033 C 
ATOM     28  C   LIG    1       -6.854  -0.962   0.227  0.00  0.00    +0.014 C 
ATOM     29  C   LIG    1       -5.673  -0.403  -1.924  0.00  0.00    +0.014 C 
ENDBRANCH  25  27
ENDBRANCH   4  21
TORSDOF 4