REMARK  Name = BDB063139
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.987  -0.306   0.686  0.00  0.00    -0.253 N 
ATOM      2  H   LIG    1       -2.120   0.655   0.941  0.00  0.00    +0.158 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -3.136  -0.930   0.253  0.00  0.00    +0.222 A 
ATOM      4  N   LIG    1       -4.234  -0.150   0.225  0.00  0.00    -0.211 NA
ATOM      5  C   LIG    1       -5.412  -0.693  -0.185  0.00  0.00    +0.111 A 
ATOM      6  C   LIG    1       -5.491  -2.013  -0.578  0.00  0.00    +0.167 A 
ATOM      7  F   LIG    1       -6.623  -2.583  -1.011  0.00  0.00    -0.202 F 
ATOM      8  C   LIG    1       -4.327  -2.734  -0.526  0.00  0.00    +0.155 A 
ATOM      9  N   LIG    1       -3.152  -2.218  -0.116  0.00  0.00    -0.220 NA
BRANCH   5  10
ATOM     10  C   LIG    1       -6.565   0.233  -0.178  0.00  0.00    +0.005 A 
ATOM     11  C   LIG    1       -6.376   1.605  -0.451  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1       -7.456   2.513  -0.450  0.00  0.00    +0.079 A 
ATOM     13  C   LIG    1       -8.734   2.032  -0.164  0.00  0.00    +0.039 A 
ATOM     14  S   LIG    1       -9.854   3.339  -0.228  0.00  0.00    -0.075 S 
ATOM     15  C   LIG    1       -8.573   4.404  -0.622  0.00  0.00    +0.157 A 
ATOM     16  C   LIG    1       -8.965   0.680   0.121  0.00  0.00    +0.018 A 
ATOM     17  N   LIG    1       -7.377   3.872  -0.712  0.00  0.00    -0.247 NA
ATOM     18  C   LIG    1       -7.870  -0.197   0.111  0.00  0.00    +0.011 A 
ENDBRANCH   5  10
ENDBRANCH   1   3
BRANCH   1  22
ATOM     19  C   LIG    1        1.902  -1.490   1.273  0.00  0.00    +0.073 A 
ATOM     20  C   LIG    1        1.447  -0.223   1.540  0.00  0.00    +0.129 A 
ATOM     21  N   LIG    1        0.168   0.168   1.338  0.00  0.00    -0.222 NA
ATOM     22  C   LIG    1       -0.700  -0.757   0.879  0.00  0.00    +0.222 A 
ATOM     23  N   LIG    1       -0.342  -2.026   0.627  0.00  0.00    -0.222 NA
ATOM     24  C   LIG    1        0.947  -2.374   0.842  0.00  0.00    +0.129 A 
BRANCH  19  29
ATOM     25  N   LIG    1        6.751   0.033  -0.297  0.00  0.00    -0.300 NA
ATOM     26  C   LIG    1        6.701  -0.411   1.112  0.00  0.00    +0.103 C 
ATOM     27  C   LIG    1        5.698  -1.549   1.355  0.00  0.00    +0.123 C 
ATOM     28  N   LIG    1        4.331  -1.146   1.015  0.00  0.00    -0.295 N 
ATOM     29  C   LIG    1        3.284  -1.919   1.503  0.00  0.00    +0.250 C 
ATOM     30  O   LIG    1        3.453  -2.958   2.136  0.00  0.00    -0.270 OA
ATOM     31  C   LIG    1        4.213  -0.112  -0.024  0.00  0.00    +0.123 C 
ATOM     32  C   LIG    1        5.437  -0.074  -0.964  0.00  0.00    +0.103 C 
BRANCH  25  34
ATOM     33  C   LIG    1        7.877   1.650  -1.809  0.00  0.00    +0.020 C 
ATOM     34  C   LIG    1        7.361   1.363  -0.403  0.00  0.00    +0.081 C 
ENDBRANCH  25  34
ENDBRANCH  19  29
ENDBRANCH   1  22
TORSDOF 5