REMARK  Name = BDB020831
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.280  -0.350  -0.722  0.00  0.00    +0.041 A 
ATOM      2  C   LIG    1        0.254  -1.133  -1.334  0.00  0.00    +0.172 A 
ATOM      3  N   LIG    1       -1.050  -0.797  -1.059  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1       -1.813  -1.708  -1.730  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1       -1.040  -2.528  -2.404  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -1.417   0.275  -0.236  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1       -0.478   0.991   0.321  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        0.265  -2.162  -2.160  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        0.837   0.659   0.063  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  14
ATOM     10  C   LIG    1        6.895  -1.192  -1.001  0.00  0.00    +0.239 C 
ATOM     11  N   LIG    1        5.535  -0.951  -1.140  0.00  0.00    -0.294 N 
ATOM     12  C   LIG    1        4.970   0.290  -1.670  0.00  0.00    +0.113 C 
ATOM     13  C   LIG    1        3.641   0.621  -0.988  0.00  0.00    +0.054 C 
ATOM     14  C   LIG    1        2.722  -0.579  -0.918  0.00  0.00    -0.036 C 
ATOM     15  C   LIG    1        3.241  -1.813  -1.078  0.00  0.00    -0.004 C 
ATOM     16  C   LIG    1        4.693  -2.132  -1.289  0.00  0.00    +0.135 C 
ATOM     17  O   LIG    1        7.381  -2.321  -0.992  0.00  0.00    -0.271 OA
BRANCH  10  19
ATOM     18  C   LIG    1        9.065  -0.058  -1.155  0.00  0.00    +0.013 C 
ATOM     19  C   LIG    1        7.771  -0.004  -0.818  0.00  0.00    +0.060 C 
ENDBRANCH  10  19
ENDBRANCH   1  14
BRANCH   6  20
ATOM     20  N   LIG    1       -2.756   0.539  -0.035  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1       -3.407   0.235  -0.750  0.00  0.00    +0.149 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -3.185   1.757   0.633  0.00  0.00    +0.143 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -4.647   1.658   0.957  0.00  0.00    +0.012 A 
ATOM     24  C   LIG    1       -5.130   0.823   1.961  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1       -4.409  -0.126   2.844  0.00  0.00    +0.080 C 
ATOM     26  C   LIG    1       -5.525  -0.428   3.844  0.00  0.00    +0.234 C 
ATOM     27  O   LIG    1       -6.802  -0.153   3.223  0.00  0.00    -0.491 OA
ATOM     28  C   LIG    1       -6.492   0.727   2.220  0.00  0.00    +0.124 A 
ATOM     29  C   LIG    1       -7.430   1.443   1.504  0.00  0.00    +0.049 A 
ATOM     30  C   LIG    1       -6.969   2.292   0.498  0.00  0.00    +0.042 A 
ATOM     31  C   LIG    1       -5.596   2.392   0.235  0.00  0.00    +0.129 A 
ATOM     32  F   LIG    1       -5.194   3.203  -0.754  0.00  0.00    -0.205 F 
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   6  20
TORSDOF 5