REMARK  Name = BDB021348
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.320   0.814   0.423  0.00  0.00    +0.046 A 
ATOM      2  C   LIG    1        0.359   1.746   0.914  0.00  0.00    +0.151 A 
ATOM      3  N   LIG    1       -0.928   1.282   1.107  0.00  0.00    -0.270 N 
ATOM      4  C   LIG    1       -1.677   2.344   1.562  0.00  0.00    +0.134 A 
ATOM      5  C   LIG    1       -0.796   3.399   1.634  0.00  0.00    +0.159 A 
ATOM      6  C   LIG    1       -1.310  -0.049   0.845  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1       -0.423  -0.885   0.378  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        0.462   3.023   1.232  0.00  0.00    -0.217 NA
ATOM      9  C   LIG    1        0.862  -0.431   0.171  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1        5.324   1.761  -0.402  0.00  0.00    +0.318 A 
ATOM     11  N   LIG    1        4.393   2.666  -0.731  0.00  0.00    -0.203 NA
ATOM     12  C   LIG    1        3.115   2.332  -0.449  0.00  0.00    +0.126 A 
ATOM     13  C   LIG    1        2.731   1.142   0.143  0.00  0.00    +0.024 A 
ATOM     14  C   LIG    1        3.792   0.318   0.477  0.00  0.00    +0.126 A 
ATOM     15  N   LIG    1        5.089   0.597   0.225  0.00  0.00    -0.203 NA
BRANCH  10  16
ATOM     16  O   LIG    1        6.618   2.147  -0.660  0.00  0.00    -0.460 OA
BRANCH  16  17
ATOM     17  C   LIG    1        7.511   1.059  -0.908  0.00  0.00    +0.260 C 
BRANCH  17  18
ATOM     18  C   LIG    1        7.439   0.593  -2.367  0.00  0.00    +0.200 C 
BRANCH  18  20
ATOM     19  C   LIG    1        6.339  -1.514  -2.238  0.00  0.00    +0.194 C 
ATOM     20  O   LIG    1        6.263  -0.162  -2.669  0.00  0.00    -0.380 OA
ENDBRANCH  18  20
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH  10  16
ENDBRANCH   1  13
BRANCH   5  21
ATOM     21  C   LIG    1       -1.085   4.737   2.054  0.00  0.00    +0.121 C 
ATOM     22  N   LIG    1       -1.362   5.810   2.402  0.00  0.00    -0.189 NA
ENDBRANCH   5  21
BRANCH   6  23
ATOM     23  N   LIG    1       -2.615  -0.423   1.084  0.00  0.00    -0.310 N 
ATOM     24  H   LIG    1       -3.139   0.124   1.758  0.00  0.00    +0.149 HD
BRANCH  23  25
ATOM     25  C   LIG    1       -3.011  -1.820   1.060  0.00  0.00    +0.143 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -4.508  -1.914   1.102  0.00  0.00    +0.012 A 
ATOM     27  C   LIG    1       -5.305  -1.584   0.009  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1       -4.925  -1.063  -1.327  0.00  0.00    +0.080 C 
ATOM     29  C   LIG    1       -6.263  -1.236  -2.048  0.00  0.00    +0.234 C 
ATOM     30  O   LIG    1       -7.326  -1.271  -1.067  0.00  0.00    -0.491 OA
ATOM     31  C   LIG    1       -6.690  -1.647   0.087  0.00  0.00    +0.124 A 
ATOM     32  C   LIG    1       -7.347  -2.031   1.238  0.00  0.00    +0.049 A 
ATOM     33  C   LIG    1       -6.570  -2.373   2.345  0.00  0.00    +0.042 A 
ATOM     34  C   LIG    1       -5.172  -2.311   2.270  0.00  0.00    +0.129 A 
ATOM     35  F   LIG    1       -4.460  -2.626   3.361  0.00  0.00    -0.205 F 
ENDBRANCH  25  26
ENDBRANCH  23  25
ENDBRANCH   6  23
TORSDOF 9