REMARK  Name = BDB065038
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.081   1.060   0.917  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1       -1.121   1.183   0.199  0.00  0.00    +0.029 A 
ATOM      3  C   LIG    1       -1.891   0.060  -0.160  0.00  0.00    -0.022 A 
ATOM      4  C   LIG    1       -1.415  -1.205   0.234  0.00  0.00    +0.006 A 
ATOM      5  C   LIG    1       -0.241  -1.336   0.974  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        0.499  -0.207   1.321  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -3.194   0.159  -0.994  0.00  0.00    +0.062 C 
ATOM      8  N   LIG    1       -4.266  -0.702  -0.420  0.00  0.00    -0.279 N 
ATOM      9  C   LIG    1       -4.623  -0.531   0.986  0.00  0.00    +0.134 C 
ATOM     10  C   LIG    1       -5.237  -1.292  -1.210  0.00  0.00    +0.303 C 
ATOM     11  O   LIG    1       -6.254  -1.825  -0.772  0.00  0.00    -0.253 OA
ATOM     12  N   LIG    1       -5.034  -1.291  -2.553  0.00  0.00    -0.299 N 
ATOM     13  H   LIG    1       -5.815  -1.680  -3.068  0.00  0.00    +0.150 HD
ATOM     14  C   LIG    1       -4.061  -0.498  -3.249  0.00  0.00    +0.108 C 
ATOM     15  C   LIG    1       -2.818  -0.336  -2.411  0.00  0.00    +0.049 C 
ATOM     16  C   LIG    1       -3.742   1.607  -1.084  0.00  0.00    +0.037 C 
ENDBRANCH   3   7
BRANCH   1  18
ATOM     17  C   LIG    1        2.018   2.495   1.730  0.00  0.00    +0.267 C 
ATOM     18  N   LIG    1        0.751   2.254   1.244  0.00  0.00    -0.280 N 
ATOM     19  H   LIG    1        0.203   3.104   1.195  0.00  0.00    +0.155 HD
ATOM     20  O   LIG    1        2.249   3.567   2.296  0.00  0.00    -0.268 OA
BRANCH  17  26
ATOM     21  C   LIG    1        6.262   0.395   3.196  0.00  0.00    +0.066 C 
ATOM     22  C   LIG    1        5.142   0.579   2.217  0.00  0.00    +0.042 A 
ATOM     23  N   LIG    1        5.186  -0.143   1.078  0.00  0.00    -0.237 NA
ATOM     24  C   LIG    1        4.201   0.022   0.170  0.00  0.00    +0.133 A 
ATOM     25  N   LIG    1        3.171   0.863   0.356  0.00  0.00    -0.227 NA
ATOM     26  C   LIG    1        3.143   1.542   1.522  0.00  0.00    +0.129 A 
ATOM     27  C   LIG    1        4.120   1.456   2.488  0.00  0.00    +0.056 A 
BRANCH  24  28
ATOM     28  C   LIG    1        4.274  -0.776  -1.108  0.00  0.00    +0.057 C 
ATOM     29  C   LIG    1        3.938  -2.251  -1.086  0.00  0.00    +0.012 C 
ATOM     30  C   LIG    1        3.021  -1.290  -1.783  0.00  0.00    +0.012 C 
ENDBRANCH  24  28
ENDBRANCH  17  26
ENDBRANCH   1  18
TORSDOF 4