REMARK  Name = BDB061208
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.225   0.135   0.291  0.00  0.00    +0.031 A 
ATOM      2  C   LIG    1        0.486   1.325   0.309  0.00  0.00    +0.063 A 
ATOM      3  C   LIG    1       -0.911   1.264   0.321  0.00  0.00    +0.047 A 
ATOM      4  C   LIG    1       -1.661   2.519   0.268  0.00  0.00    +0.144 A 
ATOM      5  N   LIG    1       -1.115   3.695   0.254  0.00  0.00    -0.179 NA
ATOM      6  N   LIG    1        0.240   3.747   0.282  0.00  0.00    -0.243 N 
ATOM      7  H   LIG    1        0.657   4.674   0.275  0.00  0.00    +0.192 HD
ATOM      8  C   LIG    1       -1.569   0.031   0.348  0.00  0.00    +0.128 A 
ATOM      9  N   LIG    1       -0.863  -1.115   0.320  0.00  0.00    -0.239 NA
ATOM     10  C   LIG    1        1.100   2.674   0.313  0.00  0.00    +0.273 A 
ATOM     11  O   LIG    1        2.311   2.852   0.368  0.00  0.00    -0.266 OA
ATOM     12  C   LIG    1        0.489  -1.045   0.286  0.00  0.00    +0.123 A 
ENDROOT
BRANCH   1  17
ATOM     13  C   LIG    1        4.817  -0.392  -0.334  0.00  0.00    +0.148 A 
ATOM     14  N   LIG    1        4.845   0.021   0.947  0.00  0.00    -0.166 NA
ATOM     15  N   LIG    1        3.562   0.309   1.246  0.00  0.00    -0.266 N 
ATOM     16  C   LIG    1        3.276   0.813   2.569  0.00  0.00    +0.173 C 
ATOM     17  C   LIG    1        2.680   0.027   0.230  0.00  0.00    +0.072 A 
ATOM     18  C   LIG    1        3.475  -0.433  -0.802  0.00  0.00    +0.062 A 
BRANCH  13  21
ATOM     19  C   LIG    1        8.439  -1.034  -1.345  0.00  0.00    +0.132 C 
ATOM     20  N   LIG    1        7.282  -0.414  -0.728  0.00  0.00    -0.302 N 
ATOM     21  C   LIG    1        6.000  -0.829  -1.112  0.00  0.00    +0.266 C 
ATOM     22  O   LIG    1        5.838  -1.561  -2.092  0.00  0.00    -0.268 OA
ATOM     23  C   LIG    1        7.551   0.606   0.273  0.00  0.00    +0.132 C 
ENDBRANCH  13  21
ENDBRANCH   1  17
BRANCH   8  24
ATOM     24  N   LIG    1       -2.970  -0.041   0.369  0.00  0.00    -0.324 N 
ATOM     25  H   LIG    1       -3.333   0.475   1.167  0.00  0.00    +0.148 HD
BRANCH  24  26
ATOM     26  C   LIG    1       -3.519  -1.397   0.363  0.00  0.00    +0.141 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -5.019  -1.313   0.311  0.00  0.00    +0.012 A 
ATOM     28  C   LIG    1       -5.701  -0.877  -0.822  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1       -5.177  -0.376  -2.116  0.00  0.00    +0.080 C 
ATOM     30  C   LIG    1       -6.473  -0.384  -2.926  0.00  0.00    +0.234 C 
ATOM     31  O   LIG    1       -7.598  -0.321  -2.019  0.00  0.00    -0.491 OA
ATOM     32  C   LIG    1       -7.087  -0.785  -0.836  0.00  0.00    +0.124 A 
ATOM     33  C   LIG    1       -7.857  -1.114   0.261  0.00  0.00    +0.049 A 
ATOM     34  C   LIG    1       -7.198  -1.561   1.406  0.00  0.00    +0.042 A 
ATOM     35  C   LIG    1       -5.800  -1.656   1.423  0.00  0.00    +0.129 A 
ATOM     36  F   LIG    1       -5.204  -2.073   2.549  0.00  0.00    -0.205 F 
ENDBRANCH  26  27
ENDBRANCH  24  26
ENDBRANCH   8  24
TORSDOF 5