REMARK  Name = BDB051601
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.759  -0.078  -0.342  0.00  0.00    -0.239 N 
ATOM      2  N   LIG    1       -1.623   0.017   0.705  0.00  0.00    -0.166 NA
ATOM      3  C   LIG    1       -2.816   0.360   0.196  0.00  0.00    +0.108 A 
ATOM      4  C   LIG    1       -2.687   0.438  -1.236  0.00  0.00    +0.059 A 
ATOM      5  C   LIG    1       -3.696   0.738  -2.141  0.00  0.00    +0.169 A 
ATOM      6  C   LIG    1       -4.929   0.976  -1.518  0.00  0.00    +0.160 A 
ATOM      7  C   LIG    1       -5.120   0.916  -0.111  0.00  0.00    +0.056 A 
ATOM      8  F   LIG    1       -5.991   1.281  -2.279  0.00  0.00    -0.202 F 
ATOM      9  F   LIG    1       -3.527   0.795  -3.465  0.00  0.00    -0.202 F 
ATOM     10  C   LIG    1       -4.074   0.606   0.798  0.00  0.00    +0.067 A 
ATOM     11  C   LIG    1       -1.386   0.158  -1.547  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  15
ATOM     12  C   LIG    1        3.313  -1.040   0.372  0.00  0.00    -0.033 A 
ATOM     13  C   LIG    1        2.405  -0.919   1.433  0.00  0.00    +0.007 A 
ATOM     14  C   LIG    1        1.066  -0.603   1.191  0.00  0.00    +0.028 A 
ATOM     15  C   LIG    1        0.610  -0.400  -0.121  0.00  0.00    +0.065 A 
ATOM     16  C   LIG    1        1.514  -0.517  -1.185  0.00  0.00    +0.028 A 
ATOM     17  C   LIG    1        2.854  -0.835  -0.936  0.00  0.00    +0.007 A 
BRANCH  12  18
ATOM     18  C   LIG    1        4.763  -1.369   0.639  0.00  0.00    +0.116 C 
BRANCH  18  20
ATOM     19  C   LIG    1        5.802   0.781   0.182  0.00  0.00    +0.101 C 
ATOM     20  N   LIG    1        5.530  -0.245   1.178  0.00  0.00    -0.315 NA
ATOM     21  H   LIG    1        5.015   0.168   1.955  0.00  0.00    +0.122 HD
ENDBRANCH  18  20
ENDBRANCH  12  18
ENDBRANCH   1  15
BRANCH  10  22
ATOM     22  C   LIG    1       -4.280   0.576   2.254  0.00  0.00    +0.244 C 
ATOM     23  O   LIG    1       -3.440   0.964   3.051  0.00  0.00    -0.270 OA
ATOM     24  N   LIG    1       -5.488   0.097   2.686  0.00  0.00    -0.325 N 
ATOM     25  H   LIG    1       -6.092  -0.460   2.099  0.00  0.00    +0.145 HD
ATOM     26  H   LIG    1       -5.572  -0.029   3.688  0.00  0.00    +0.145 HD
ENDBRANCH  10  22
TORSDOF 4