REMARK  Name = BDB013223
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.902  -0.351  -0.498  0.00  0.00    +0.047 A 
ATOM      2  C   LIG    1        0.089  -1.089  -1.394  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1       -1.258  -0.822  -1.378  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1       -1.807  -1.669  -2.296  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1       -0.863  -2.390  -2.859  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -1.847   0.135  -0.538  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1       -1.088   0.801   0.292  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        0.337  -2.024  -2.288  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        0.268   0.545   0.289  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1        2.798   0.909  -2.446  0.00  0.00    +0.066 C 
ATOM     11  C   LIG    1        3.263   0.101  -1.268  0.00  0.00    +0.046 A 
ATOM     12  C   LIG    1        2.362  -0.492  -0.375  0.00  0.00    +0.008 A 
ATOM     13  C   LIG    1        2.891  -1.237   0.685  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1        4.271  -1.363   0.828  0.00  0.00    +0.025 A 
ATOM     15  C   LIG    1        5.103  -0.733  -0.092  0.00  0.00    +0.056 A 
ATOM     16  N   LIG    1        4.611  -0.011  -1.131  0.00  0.00    -0.255 NA
BRANCH  15  17
ATOM     17  C   LIG    1        6.615  -0.846   0.033  0.00  0.00    +0.139 C 
BRANCH  17  18
ATOM     18  N   LIG    1        7.266   0.265   0.761  0.00  0.00    -0.303 NA
ATOM     19  C   LIG    1        6.956   0.250   2.189  0.00  0.00    +0.105 C 
ATOM     20  C   LIG    1        8.715   0.206   0.561  0.00  0.00    +0.105 C 
ENDBRANCH  17  18
ENDBRANCH  15  17
ENDBRANCH   1  12
BRANCH   6  21
ATOM     21  N   LIG    1       -3.210   0.338  -0.608  0.00  0.00    -0.310 N 
ATOM     22  H   LIG    1       -3.673   0.107  -1.480  0.00  0.00    +0.149 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -3.831   1.463   0.072  0.00  0.00    +0.143 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -5.322   1.297   0.045  0.00  0.00    +0.012 A 
ATOM     25  C   LIG    1       -5.980   0.356   0.832  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1       -5.433  -0.657   1.768  0.00  0.00    +0.080 C 
ATOM     27  C   LIG    1       -6.731  -1.085   2.453  0.00  0.00    +0.234 C 
ATOM     28  O   LIG    1       -7.846  -0.781   1.584  0.00  0.00    -0.491 OA
ATOM     29  C   LIG    1       -7.359   0.200   0.761  0.00  0.00    +0.124 A 
ATOM     30  C   LIG    1       -8.143   0.959  -0.084  0.00  0.00    +0.049 A 
ATOM     31  C   LIG    1       -7.508   1.913  -0.877  0.00  0.00    +0.042 A 
ATOM     32  C   LIG    1       -6.117   2.073  -0.808  0.00  0.00    +0.129 A 
ATOM     33  F   LIG    1       -5.540   2.986  -1.603  0.00  0.00    -0.205 F 
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   6  21
TORSDOF 6