REMARK  Name = BDB041289
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.048   0.011   0.089  0.00  0.00    +0.011 A 
ATOM      2  C   LIG    1        0.370  -0.612   1.162  0.00  0.00    +0.016 A 
ATOM      3  C   LIG    1       -1.027  -0.486   1.262  0.00  0.00    +0.044 A 
ATOM      4  C   LIG    1       -1.651  -1.150   2.322  0.00  0.00    +0.146 A 
ATOM      5  N   LIG    1       -0.991  -1.872   3.254  0.00  0.00    -0.157 NA
ATOM      6  N   LIG    1        0.351  -1.979   3.173  0.00  0.00    -0.157 NA
ATOM      7  C   LIG    1       -1.717   0.279   0.295  0.00  0.00    +0.128 A 
ATOM      8  N   LIG    1       -1.073   0.858  -0.738  0.00  0.00    -0.239 NA
ATOM      9  C   LIG    1        1.000  -1.372   2.155  0.00  0.00    +0.144 A 
ATOM     10  C   LIG    1        0.268   0.720  -0.819  0.00  0.00    +0.122 A 
ENDROOT
BRANCH   1  13
ATOM     11  C   LIG    1        2.345  -2.180  -1.502  0.00  0.00    +0.044 C 
ATOM     12  C   LIG    1        3.128  -1.080  -0.838  0.00  0.00    -0.039 A 
ATOM     13  C   LIG    1        2.501  -0.059  -0.099  0.00  0.00    +0.005 A 
ATOM     14  C   LIG    1        3.325   0.921   0.462  0.00  0.00    +0.120 A 
ATOM     15  N   LIG    1        4.673   0.954   0.355  0.00  0.00    -0.250 NA
ATOM     16  C   LIG    1        5.256  -0.045  -0.352  0.00  0.00    +0.126 A 
ATOM     17  C   LIG    1        4.525  -1.060  -0.965  0.00  0.00    +0.037 A 
BRANCH  16  18
ATOM     18  C   LIG    1        6.746  -0.015  -0.545  0.00  0.00    +0.264 C 
ATOM     19  N   LIG    1        7.579   0.588   0.405  0.00  0.00    -0.302 N 
ATOM     20  C   LIG    1        8.973   0.819   0.071  0.00  0.00    +0.132 C 
ATOM     21  C   LIG    1        7.142   1.060   1.710  0.00  0.00    +0.132 C 
ATOM     22  O   LIG    1        7.196  -0.541  -1.567  0.00  0.00    -0.268 OA
ENDBRANCH  16  18
ENDBRANCH   1  13
BRANCH   7  23
ATOM     23  N   LIG    1       -3.113   0.429   0.391  0.00  0.00    -0.324 N 
ATOM     24  H   LIG    1       -3.341   0.837   1.295  0.00  0.00    +0.148 HD
BRANCH  23  25
ATOM     25  C   LIG    1       -3.718   1.219  -0.680  0.00  0.00    +0.141 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -5.211   1.231  -0.493  0.00  0.00    +0.012 A 
ATOM     27  C   LIG    1       -5.989   0.088  -0.655  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1       -5.585  -1.306  -0.958  0.00  0.00    +0.080 C 
ATOM     29  C   LIG    1       -6.959  -1.898  -1.271  0.00  0.00    +0.234 C 
ATOM     30  O   LIG    1       -7.978  -1.090  -0.637  0.00  0.00    -0.491 OA
ATOM     31  C   LIG    1       -7.364   0.122  -0.456  0.00  0.00    +0.124 A 
ATOM     32  C   LIG    1       -8.027   1.275  -0.089  0.00  0.00    +0.049 A 
ATOM     33  C   LIG    1       -7.270   2.435   0.071  0.00  0.00    +0.042 A 
ATOM     34  C   LIG    1       -5.882   2.405  -0.130  0.00  0.00    +0.129 A 
ATOM     35  F   LIG    1       -5.190   3.540   0.048  0.00  0.00    -0.205 F 
ENDBRANCH  25  26
ENDBRANCH  23  25
ENDBRANCH   7  23
TORSDOF 5