REMARK  Name = BDB013006
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.648  -0.204  -0.039  0.00  0.00    +0.048 A 
ATOM      2  C   LIG    1        1.062  -0.009   1.248  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1       -0.294  -0.205   1.363  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1       -0.596   0.072   2.665  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1        0.497   0.392   3.318  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -1.115  -0.592   0.296  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1       -0.580  -0.754  -0.884  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        1.544   0.339   2.426  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        0.779  -0.549  -1.017  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1        3.681  -1.986  -1.929  0.00  0.00    +0.068 C 
ATOM     11  C   LIG    1        3.941  -0.768  -1.120  0.00  0.00    +0.068 A 
ATOM     12  C   LIG    1        3.049  -0.021  -0.300  0.00  0.00    +0.028 A 
ATOM     13  C   LIG    1        3.834   0.967   0.254  0.00  0.00    +0.117 A 
ATOM     14  N   LIG    1        5.091   0.785  -0.244  0.00  0.00    -0.268 N 
ATOM     15  N   LIG    1        5.178  -0.251  -1.100  0.00  0.00    -0.176 NA
BRANCH  14  16
ATOM     16  C   LIG    1        6.270   1.584   0.071  0.00  0.00    +0.101 C 
ATOM     17  C   LIG    1        6.818   2.287  -1.171  0.00  0.00    +0.032 C 
ATOM     18  C   LIG    1        7.347   0.745   0.758  0.00  0.00    +0.032 C 
ENDBRANCH  14  16
ENDBRANCH   1  12
BRANCH   6  19
ATOM     19  N   LIG    1       -2.463  -0.782   0.521  0.00  0.00    -0.310 N 
ATOM     20  H   LIG    1       -2.750  -1.024   1.463  0.00  0.00    +0.149 HD
BRANCH  19  21
ATOM     21  C   LIG    1       -3.311  -1.387  -0.493  0.00  0.00    +0.143 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -4.750  -1.229  -0.096  0.00  0.00    +0.012 A 
ATOM     23  C   LIG    1       -5.408  -0.004  -0.159  0.00  0.00    +0.005 A 
ATOM     24  C   LIG    1       -4.900   1.334  -0.549  0.00  0.00    +0.080 C 
ATOM     25  C   LIG    1       -6.230   2.080  -0.659  0.00  0.00    +0.234 C 
ATOM     26  O   LIG    1       -7.223   1.395   0.140  0.00  0.00    -0.491 OA
ATOM     27  C   LIG    1       -6.730   0.121   0.247  0.00  0.00    +0.124 A 
ATOM     28  C   LIG    1       -7.456  -0.948   0.733  0.00  0.00    +0.049 A 
ATOM     29  C   LIG    1       -6.820  -2.187   0.800  0.00  0.00    +0.042 A 
ATOM     30  C   LIG    1       -5.485  -2.317   0.391  0.00  0.00    +0.129 A 
ATOM     31  F   LIG    1       -4.902  -3.520   0.491  0.00  0.00    -0.205 F 
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH   6  19
TORSDOF 5