REMARK  Name = BDB012604
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.981  -0.586  -0.529  0.00  0.00    -0.336 N 
ATOM      2  C   LIG    1       -0.067  -0.558   0.485  0.00  0.00    +0.117 A 
ATOM      3  C   LIG    1        1.141  -0.286  -0.126  0.00  0.00    +0.107 A 
ATOM      4  N   LIG    1        0.965  -0.156  -1.490  0.00  0.00    -0.234 NA
ATOM      5  C   LIG    1       -0.319  -0.346  -1.698  0.00  0.00    +0.200 A 
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        2.423  -0.153   0.555  0.00  0.00    +0.091 A 
ATOM      7  N   LIG    1        2.421  -0.301   1.905  0.00  0.00    -0.253 NA
ATOM      8  C   LIG    1        3.605  -0.178   2.537  0.00  0.00    +0.112 A 
ATOM      9  C   LIG    1        4.802   0.086   1.894  0.00  0.00    +0.030 A 
ATOM     10  C   LIG    1        4.797   0.238   0.505  0.00  0.00    +0.007 A 
ATOM     11  C   LIG    1        3.579   0.115  -0.171  0.00  0.00    +0.040 A 
BRANCH  10  12
ATOM     12  C   LIG    1        6.010   0.517  -0.242  0.00  0.00    +0.112 A 
ATOM     13  N   LIG    1        6.047   0.681  -1.605  0.00  0.00    -0.130 NA
ATOM     14  N   LIG    1        7.301   0.921  -1.965  0.00  0.00    -0.068 NA
ATOM     15  N   LIG    1        8.044   0.910  -0.852  0.00  0.00    -0.264 N 
ATOM     16  H   LIG    1        9.041   1.078  -0.932  0.00  0.00    +0.190 HD
ATOM     17  C   LIG    1        7.287   0.663   0.254  0.00  0.00    +0.135 A 
ENDBRANCH  10  12
ENDBRANCH   3   6
BRANCH   1  18
ATOM     18  C   LIG    1       -2.401  -0.837  -0.393  0.00  0.00    +0.127 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -3.189   0.458  -0.204  0.00  0.00    +0.058 C 
BRANCH  19  22
ATOM     20 CL   LIG    1       -4.948   0.071  -2.777  0.00  0.00    -0.083 Cl
ATOM     21  C   LIG    1       -5.526   0.006  -1.150  0.00  0.00    +0.044 A 
ATOM     22  C   LIG    1       -4.670   0.197  -0.052  0.00  0.00    -0.027 A 
ATOM     23  C   LIG    1       -5.213   0.116   1.242  0.00  0.00    +0.005 A 
ATOM     24  C   LIG    1       -6.572  -0.141   1.433  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -7.409  -0.323   0.335  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1       -6.886  -0.250  -0.955  0.00  0.00    +0.020 A 
ENDBRANCH  19  22
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 5