REMARK  Name = BDB041300
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.573  -0.438  -0.131  0.00  0.00    +0.005 C 
ATOM      2  C   LIG    1        1.150  -1.770  -0.723  0.00  0.00    +0.080 C 
ATOM      3  C   LIG    1       -0.315  -2.019  -0.558  0.00  0.00    +0.021 C 
ATOM      4  C   LIG    1       -0.755  -3.281  -0.469  0.00  0.00    +0.142 C 
ATOM      5  N   LIG    1        0.063  -4.373  -0.601  0.00  0.00    -0.162 NA
ATOM      6  N   LIG    1        1.311  -4.252  -0.539  0.00  0.00    -0.187 NA
ATOM      7  C   LIG    1       -1.208  -0.838  -0.391  0.00  0.00    +0.124 C 
ATOM      8  N   LIG    1       -0.726   0.330  -0.060  0.00  0.00    -0.240 NA
ATOM      9  C   LIG    1        1.881  -2.962  -0.089  0.00  0.00    +0.179 C 
ATOM     10  C   LIG    1        0.622   0.481   0.129  0.00  0.00    +0.119 C 
ENDROOT
BRANCH   1  15
ATOM     11  C   LIG    1        5.107   0.474   0.047  0.00  0.00    +0.148 A 
ATOM     12  N   LIG    1        4.740   0.515   1.342  0.00  0.00    -0.166 NA
ATOM     13  N   LIG    1        3.434   0.184   1.347  0.00  0.00    -0.266 N 
ATOM     14  C   LIG    1        2.753   0.095   2.620  0.00  0.00    +0.173 C 
ATOM     15  C   LIG    1        2.929  -0.056   0.092  0.00  0.00    +0.067 A 
ATOM     16  C   LIG    1        3.999   0.094  -0.761  0.00  0.00    +0.062 A 
BRANCH  11  19
ATOM     17  C   LIG    1        8.814   1.386  -0.087  0.00  0.00    +0.132 C 
ATOM     18  N   LIG    1        7.426   1.371   0.337  0.00  0.00    -0.302 N 
ATOM     19  C   LIG    1        6.478   0.719  -0.464  0.00  0.00    +0.266 C 
ATOM     20  O   LIG    1        6.769   0.338  -1.601  0.00  0.00    -0.268 OA
ATOM     21  C   LIG    1        7.136   2.002   1.614  0.00  0.00    +0.132 C 
ENDBRANCH  11  19
ENDBRANCH   1  15
BRANCH   7  22
ATOM     22  N   LIG    1       -2.570  -0.964  -0.582  0.00  0.00    -0.328 N 
ATOM     23  H   LIG    1       -2.871  -1.731  -1.175  0.00  0.00    +0.147 HD
BRANCH  22  24
ATOM     24  C   LIG    1       -3.458   0.192  -0.588  0.00  0.00    +0.114 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -4.928  -0.230  -0.766  0.00  0.00    +0.073 C 
ATOM     26  C   LIG    1       -5.349  -1.208   0.373  0.00  0.00    +0.198 C 
ATOM     27  F   LIG    1       -5.104  -2.481  -0.067  0.00  0.00    -0.240 F 
ATOM     28  C   LIG    1       -6.791  -1.113   0.818  0.00  0.00    +0.014 C 
ATOM     29  C   LIG    1       -7.575  -0.068   0.510  0.00  0.00    +0.044 C 
ATOM     30  C   LIG    1       -7.049   0.992  -0.292  0.00  0.00    +0.120 C 
ATOM     31  O   LIG    1       -7.808   2.120  -0.517  0.00  0.00    -0.492 OA
ATOM     32  C   LIG    1       -7.044   2.839  -1.513  0.00  0.00    +0.233 C 
ATOM     33  C   LIG    1       -5.667   2.180  -1.662  0.00  0.00    +0.076 C 
ATOM     34  C   LIG    1       -5.860   0.943  -0.881  0.00  0.00    -0.017 C 
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH   7  22
TORSDOF 5