REMARK  Name = BDB019033
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.304  -0.029  -0.225  0.00  0.00    +0.030 A 
ATOM      2  C   LIG    1        1.727  -0.229   1.058  0.00  0.00    +0.096 A 
ATOM      3  N   LIG    1        0.360  -0.054   1.156  0.00  0.00    -0.269 N 
ATOM      4  C   LIG    1        0.023  -0.232   2.473  0.00  0.00    +0.208 A 
ATOM      5  N   LIG    1        1.065  -0.565   3.205  0.00  0.00    -0.224 NA
ATOM      6  C   LIG    1       -0.449   0.279   0.055  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1        0.094   0.480  -1.115  0.00  0.00    -0.223 NA
ATOM      8  C   LIG    1        2.132  -0.561   2.334  0.00  0.00    +0.166 A 
ATOM      9  C   LIG    1        1.461   0.317  -1.224  0.00  0.00    +0.125 A 
ENDROOT
BRANCH   1  15
ATOM     10  C   LIG    1        7.787  -0.659  -1.589  0.00  0.00    +0.088 C 
ATOM     11  C   LIG    1        6.350  -0.489  -1.209  0.00  0.00    +0.126 A 
ATOM     12  N   LIG    1        5.958   0.722  -0.771  0.00  0.00    -0.237 NA
ATOM     13  C   LIG    1        4.655   0.877  -0.437  0.00  0.00    +0.050 A 
ATOM     14  C   LIG    1        4.266   2.238   0.065  0.00  0.00    +0.066 C 
ATOM     15  C   LIG    1        3.732  -0.155  -0.551  0.00  0.00    +0.025 A 
ATOM     16  C   LIG    1        4.241  -1.349  -1.031  0.00  0.00    +0.123 A 
ATOM     17  N   LIG    1        5.530  -1.542  -1.373  0.00  0.00    -0.240 NA
ENDBRANCH   1  15
BRANCH   6  18
ATOM     18  N   LIG    1       -1.809   0.422   0.204  0.00  0.00    -0.310 N 
ATOM     19  H   LIG    1       -2.155   0.925  -0.613  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -2.629  -0.775   0.374  0.00  0.00    +0.143 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -4.049  -0.374   0.633  0.00  0.00    +0.012 A 
ATOM     22  C   LIG    1       -4.948  -0.079  -0.388  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1       -4.759  -0.049  -1.859  0.00  0.00    +0.080 C 
ATOM     24  C   LIG    1       -6.220   0.055  -2.297  0.00  0.00    +0.234 C 
ATOM     25  O   LIG    1       -6.999   0.603  -1.211  0.00  0.00    -0.491 OA
ATOM     26  C   LIG    1       -6.244   0.333  -0.100  0.00  0.00    +0.124 A 
ATOM     27  C   LIG    1       -6.704   0.475   1.194  0.00  0.00    +0.049 A 
ATOM     28  C   LIG    1       -5.823   0.180   2.233  0.00  0.00    +0.042 A 
ATOM     29  C   LIG    1       -4.516  -0.236   1.948  0.00  0.00    +0.129 A 
ATOM     30  F   LIG    1       -3.691  -0.501   2.972  0.00  0.00    -0.205 F 
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   6  18
BRANCH   8  31
ATOM     31  C   LIG    1        3.455  -0.862   2.792  0.00  0.00    +0.121 C 
ATOM     32  N   LIG    1        4.537  -1.103   3.139  0.00  0.00    -0.189 NA
ENDBRANCH   8  31
TORSDOF 5