REMARK  Name = BDB032521
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.081   0.676  -0.406  0.00  0.00    -0.026 A 
ATOM      2  C   LIG    1        0.948  -0.049   0.421  0.00  0.00    +0.048 A 
ATOM      3  C   LIG    1        2.102  -0.637  -0.104  0.00  0.00    +0.122 A 
ATOM      4  N   LIG    1        2.376  -0.549  -1.423  0.00  0.00    -0.240 NA
ATOM      5  C   LIG    1        1.529   0.145  -2.216  0.00  0.00    +0.113 A 
ATOM      6  C   LIG    1        0.386   0.771  -1.761  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   3   7
ATOM      7  N   LIG    1        2.959  -1.371   0.728  0.00  0.00    -0.306 N 
ATOM      8  C   LIG    1        3.496  -0.623   1.889  0.00  0.00    +0.182 C 
ATOM      9  C   LIG    1        4.837  -0.012   1.649  0.00  0.00    +0.151 A 
ATOM     10  N   LIG    1        5.500   0.857   2.378  0.00  0.00    -0.132 NA
ATOM     11  N   LIG    1        6.699   1.105   1.747  0.00  0.00    -0.125 NA
ATOM     12  C   LIG    1        6.747   0.380   0.641  0.00  0.00    +0.238 A 
ATOM     13  N   LIG    1        5.594  -0.351   0.562  0.00  0.00    -0.305 N 
ATOM     14  C   LIG    1        5.169  -1.283  -0.463  0.00  0.00    +0.144 C 
ATOM     15  C   LIG    1        3.994  -2.152   0.016  0.00  0.00    +0.128 C 
BRANCH  12  16
ATOM     16  C   LIG    1        7.825   0.314  -0.373  0.00  0.00    +0.452 C 
ATOM     17  F   LIG    1        7.350   0.561  -1.624  0.00  0.00    -0.163 F 
ATOM     18  F   LIG    1        8.834   1.193  -0.155  0.00  0.00    -0.163 F 
ATOM     19  F   LIG    1        8.383  -0.926  -0.422  0.00  0.00    -0.163 F 
ENDBRANCH  12  16
ENDBRANCH   3   7
BRANCH   1  20
ATOM     20  C   LIG    1       -1.175   1.304   0.144  0.00  0.00    +0.137 C 
BRANCH  20  21
ATOM     21  N   LIG    1       -2.323   0.533  -0.311  0.00  0.00    -0.339 N 
ATOM     22  H   LIG    1       -2.153  -0.466  -0.223  0.00  0.00    +0.146 HD
BRANCH  21  26
ATOM     23  C   LIG    1       -7.079  -0.595  -0.097  0.00  0.00    +0.124 A 
ATOM     24  C   LIG    1       -6.033   0.311   0.216  0.00  0.00    +0.023 A 
ATOM     25  C   LIG    1       -4.717  -0.014  -0.202  0.00  0.00    +0.008 A 
ATOM     26  C   LIG    1       -3.626   0.857   0.120  0.00  0.00    +0.035 A 
ATOM     27  C   LIG    1       -3.905   2.071   0.766  0.00  0.00    +0.023 A 
ATOM     28  C   LIG    1       -5.196   2.395   1.171  0.00  0.00    +0.003 A 
ATOM     29  C   LIG    1       -4.553  -1.202  -0.938  0.00  0.00    +0.030 A 
ATOM     30  C   LIG    1       -5.644  -2.010  -1.197  0.00  0.00    +0.113 A 
ATOM     31  C   LIG    1       -6.244   1.520   0.912  0.00  0.00    +0.012 A 
ATOM     32  N   LIG    1       -6.891  -1.734  -0.784  0.00  0.00    -0.240 NA
BRANCH  23  33
ATOM     33  N   LIG    1       -8.406  -0.343   0.291  0.00  0.00    -0.343 N 
ATOM     34  H   LIG    1       -8.448  -0.255   1.300  0.00  0.00    +0.144 HD
ATOM     35  H   LIG    1       -8.716   0.526  -0.130  0.00  0.00    +0.144 HD
ENDBRANCH  23  33
ENDBRANCH  21  26
ENDBRANCH  20  21
ENDBRANCH   1  20
TORSDOF 6