REMARK  Name = BDB019038
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.067  -0.169   0.238  0.00  0.00    +0.029 A 
ATOM      2  C   LIG    1        1.411  -0.227  -1.019  0.00  0.00    +0.083 A 
ATOM      3  N   LIG    1        0.066   0.085  -1.030  0.00  0.00    -0.270 N 
ATOM      4  C   LIG    1       -0.365  -0.064  -2.323  0.00  0.00    +0.207 A 
ATOM      5  N   LIG    1        0.611  -0.416  -3.132  0.00  0.00    -0.237 NA
ATOM      6  C   LIG    1       -0.652   0.460   0.126  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1       -0.031   0.495   1.275  0.00  0.00    -0.223 NA
ATOM      8  CA  LIG    1        1.733  -0.524  -2.329  0.00  0.00    +0.093 A 
ATOM      9  C   LIG    1        1.312   0.179   1.302  0.00  0.00    +0.125 A 
ENDROOT
BRANCH   1  15
ATOM     10  C   LIG    1        7.521  -1.486   1.145  0.00  0.00    +0.088 C 
ATOM     11  C   LIG    1        6.090  -1.134   0.885  0.00  0.00    +0.126 A 
ATOM     12  N   LIG    1        5.805   0.151   0.597  0.00  0.00    -0.237 NA
ATOM     13  C   LIG    1        4.506   0.472   0.387  0.00  0.00    +0.050 A 
ATOM     14  C   LIG    1        4.232   1.912   0.057  0.00  0.00    +0.066 C 
ATOM     15  C   LIG    1        3.486  -0.468   0.465  0.00  0.00    +0.025 A 
ATOM     16  C   LIG    1        3.893  -1.753   0.779  0.00  0.00    +0.123 A 
ATOM     17  N   LIG    1        5.175  -2.111   0.995  0.00  0.00    -0.240 NA
ENDBRANCH   1  15
BRANCH   6  18
ATOM     18  N   LIG    1       -1.991   0.773   0.009  0.00  0.00    -0.310 N 
ATOM     19  H   LIG    1       -2.310   1.111  -0.891  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -2.714   1.371   1.119  0.00  0.00    +0.143 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -4.183   1.376   0.810  0.00  0.00    +0.012 A 
ATOM     22  C   LIG    1       -4.947   0.212   0.814  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1       -4.542  -1.195   1.050  0.00  0.00    +0.080 C 
ATOM     24  C   LIG    1       -5.926  -1.829   1.189  0.00  0.00    +0.234 C 
ATOM     25  O   LIG    1       -6.899  -0.990   0.524  0.00  0.00    -0.491 OA
ATOM     26  C   LIG    1       -6.298   0.241   0.493  0.00  0.00    +0.124 A 
ATOM     27  C   LIG    1       -6.950   1.409   0.154  0.00  0.00    +0.049 A 
ATOM     28  C   LIG    1       -6.207   2.589   0.150  0.00  0.00    +0.042 A 
ATOM     29  C   LIG    1       -4.844   2.564   0.474  0.00  0.00    +0.129 A 
ATOM     30  F   LIG    1       -4.159   3.716   0.439  0.00  0.00    -0.205 F 
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   6  18
BRANCH   8  31
ATOM     31  C   LIG    1        3.037  -0.924  -2.937  0.00  0.00    +0.213 C 
BRANCH  31  32
ATOM     32  O   LIG    1        2.925  -1.096  -4.350  0.00  0.00    -0.389 OA
ATOM     33  H   LIG    1        1.978  -0.945  -4.545  0.00  0.00    +0.210 HD
ENDBRANCH  31  32
ENDBRANCH   8  31
TORSDOF 6