REMARK  Name = BDB017665
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.750   0.585  -1.383  0.00  0.00    -0.031 A 
ATOM      2  C   LIG    1        1.542   1.551  -0.749  0.00  0.00    +0.031 A 
ATOM      3  C   LIG    1        2.860   1.258  -0.391  0.00  0.00    +0.051 A 
ATOM      4  C   LIG    1        3.434   0.009  -0.672  0.00  0.00    +0.020 A 
ATOM      5  C   LIG    1        4.845  -0.230  -0.281  0.00  0.00    +0.045 A 
ATOM      6  N   LIG    1        5.461  -1.428  -0.635  0.00  0.00    -0.343 N 
ATOM      7  H   LIG    1        5.096  -1.826  -1.496  0.00  0.00    +0.146 HD
ATOM      8  C   LIG    1        6.906  -1.589  -0.505  0.00  0.00    +0.102 C 
ATOM      9  C   LIG    1        7.373  -0.943   0.793  0.00  0.00    +0.023 C 
ATOM     10  C   LIG    1        6.933   0.523   0.859  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1        5.512   0.722   0.402  0.00  0.00    +0.038 A 
ATOM     12  C   LIG    1        4.886   2.034   0.717  0.00  0.00    +0.254 A 
ATOM     13  O   LIG    1        5.491   2.912   1.326  0.00  0.00    -0.268 OA
ATOM     14  C   LIG    1        2.629  -0.958  -1.290  0.00  0.00    +0.012 A 
ATOM     15  N   LIG    1        3.607   2.230   0.281  0.00  0.00    -0.322 N 
ATOM     16  H   LIG    1        3.198   3.126   0.506  0.00  0.00    +0.169 HD
ATOM     17  C   LIG    1        1.305  -0.673  -1.647  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   1  18
ATOM     18  C   LIG    1       -0.680   0.898  -1.770  0.00  0.00    +0.119 C 
BRANCH  18  22
ATOM     19  N   LIG    1       -4.148   0.151   0.305  0.00  0.00    -0.326 N 
ATOM     20  C   LIG    1       -2.962   0.204   1.179  0.00  0.00    +0.120 C 
ATOM     21  C   LIG    1       -1.667   0.157   0.336  0.00  0.00    +0.103 C 
ATOM     22  N   LIG    1       -1.521   1.277  -0.624  0.00  0.00    -0.295 NA
ATOM     23  C   LIG    1       -2.841   1.780  -1.060  0.00  0.00    +0.103 C 
ATOM     24  C   LIG    1       -3.998   0.753  -1.031  0.00  0.00    +0.120 C 
BRANCH  19  28
ATOM     25  C   LIG    1       -7.828  -1.174   1.760  0.00  0.00    +0.140 A 
ATOM     26  N   LIG    1       -6.857  -0.871   2.647  0.00  0.00    -0.243 NA
ATOM     27  C   LIG    1       -5.675  -0.441   2.131  0.00  0.00    +0.135 A 
ATOM     28  C   LIG    1       -5.376  -0.283   0.771  0.00  0.00    +0.048 A 
ATOM     29  C   LIG    1       -6.424  -0.618  -0.095  0.00  0.00    +0.027 A 
ATOM     30  C   LIG    1       -7.658  -1.064   0.389  0.00  0.00    +0.041 A 
BRANCH  25  32
ATOM     31  N   LIG    1      -10.100  -2.002   2.712  0.00  0.00    -0.189 NA
ATOM     32  C   LIG    1       -9.075  -1.629   2.311  0.00  0.00    +0.119 C 
ENDBRANCH  25  32
ENDBRANCH  19  28
ENDBRANCH  18  22
ENDBRANCH   1  18
TORSDOF 4