REMARK  Name = BDB024776
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.532  -0.987  -0.529  0.00  0.00    +0.407 C 
ATOM      2  N   LIG    1        4.503  -0.423   0.251  0.00  0.00    -0.234 N 
ATOM      3  C   LIG    1        4.959   0.156   1.529  0.00  0.00    +0.082 C 
ATOM      4  C   LIG    1        5.729   1.467   1.296  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1        3.837   0.342   2.547  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1        2.722   1.168   1.944  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1        2.251   0.530   0.670  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        0.910   0.714   0.258  0.00  0.00    +0.094 A 
ATOM      9  N   LIG    1       -0.081   1.461   0.849  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1       -1.158   1.300   0.107  0.00  0.00    +0.113 A 
ATOM     11  N   LIG    1       -0.890   0.465  -0.957  0.00  0.00    -0.326 N 
ATOM     12  C   LIG    1        0.428   0.078  -0.876  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1        1.224  -0.763  -1.646  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        2.560  -0.922  -1.242  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        3.116  -0.263  -0.130  0.00  0.00    +0.045 A 
ATOM     16  O   LIG    1        6.646  -1.249  -0.078  0.00  0.00    -0.226 OA
ENDROOT
BRANCH   1  18
ATOM     17  C   LIG    1        6.316  -1.666  -2.637  0.00  0.00    +0.282 C 
ATOM     18  O   LIG    1        5.239  -1.152  -1.849  0.00  0.00    -0.453 OA
ENDBRANCH   1  18
BRANCH  11  19
ATOM     19  C   LIG    1       -1.834   0.036  -1.976  0.00  0.00    +0.138 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.607  -1.216  -1.539  0.00  0.00    +0.102 C 
BRANCH  20  21
ATOM     21  N   LIG    1       -3.658  -1.547  -2.514  0.00  0.00    -0.313 NA
ATOM     22  H   LIG    1       -4.332  -0.776  -2.530  0.00  0.00    +0.122 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -4.388  -2.772  -2.147  0.00  0.00    +0.095 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -3.628  -4.055  -2.503  0.00  0.00    +0.133 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -4.447  -5.234  -2.198  0.00  0.00    +0.064 C 
ATOM     26  N   LIG    1       -5.096  -6.164  -1.953  0.00  0.00    -0.197 NA
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  11  19
BRANCH  10  27
ATOM     27  C   LIG    1       -2.482   1.937   0.376  0.00  0.00    +0.097 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -2.791   1.957   1.870  0.00  0.00    +0.151 C 
BRANCH  28  29
ATOM     29  N   LIG    1       -4.112   2.501   2.123  0.00  0.00    -0.271 N 
ATOM     30  N   LIG    1       -5.205   1.776   1.807  0.00  0.00    -0.180 NA
ATOM     31  C   LIG    1       -6.220   2.564   2.174  0.00  0.00    +0.134 A 
ATOM     32  C   LIG    1       -5.782   3.793   2.698  0.00  0.00    +0.041 A 
ATOM     33  C   LIG    1       -4.410   3.724   2.651  0.00  0.00    +0.108 A 
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH  10  27
TORSDOF 10