REMARK  Name = BDB047578
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.497  -1.149  -0.524  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1       -0.691  -0.486  -0.192  0.00  0.00    +0.017 A 
ATOM      3  C   LIG    1       -1.748  -1.192   0.400  0.00  0.00    -0.041 A 
ATOM      4  C   LIG    1       -1.605  -2.571   0.620  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -0.427  -3.233   0.264  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        0.625  -2.524  -0.314  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1  11
ATOM      7  N   LIG    1        5.340   1.094   0.155  0.00  0.00    -0.301 NA
ATOM      8  C   LIG    1        4.582   0.765  -1.070  0.00  0.00    +0.103 C 
ATOM      9  C   LIG    1        3.202   1.429  -1.244  0.00  0.00    +0.123 C 
ATOM     10  N   LIG    1        2.143   0.711  -0.531  0.00  0.00    -0.296 N 
ATOM     11  C   LIG    1        1.609  -0.417  -1.167  0.00  0.00    +0.247 C 
ATOM     12  O   LIG    1        2.014  -0.835  -2.251  0.00  0.00    -0.270 OA
ATOM     13  C   LIG    1        2.079   0.925   0.911  0.00  0.00    +0.109 C 
ATOM     14  C   LIG    1        3.344   0.465   1.637  0.00  0.00    +0.034 C 
ATOM     15  C   LIG    1        4.544   1.373   1.355  0.00  0.00    +0.086 C 
BRANCH   7  17
ATOM     16  C   LIG    1        7.424  -0.014  -0.695  0.00  0.00    +0.020 C 
ATOM     17  C   LIG    1        6.396   0.102   0.426  0.00  0.00    +0.081 C 
ENDBRANCH   7  17
ENDBRANCH   1  11
BRANCH   3  18
ATOM     18  C   LIG    1       -3.036  -0.488   0.758  0.00  0.00    +0.093 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -4.084  -0.432  -0.349  0.00  0.00    +0.074 A 
ATOM     20  C   LIG    1       -5.383   0.231  -0.055  0.00  0.00    +0.011 A 
ATOM     21  C   LIG    1       -6.328   0.272  -1.077  0.00  0.00    +0.050 A 
ATOM     22  C   LIG    1       -7.573   0.880  -0.874  0.00  0.00    +0.014 A 
ATOM     23  C   LIG    1       -7.872   1.450   0.362  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1       -6.930   1.414   1.390  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1       -6.005  -0.331  -2.380  0.00  0.00    +0.272 A 
ATOM     26  O   LIG    1       -6.808  -0.318  -3.306  0.00  0.00    -0.266 OA
ATOM     27  N   LIG    1       -4.761  -0.901  -2.486  0.00  0.00    -0.242 N 
ATOM     28  H   LIG    1       -4.512  -1.321  -3.377  0.00  0.00    +0.192 HD
ATOM     29  C   LIG    1       -5.687   0.806   1.186  0.00  0.00    +0.010 A 
ATOM     30  N   LIG    1       -3.819  -0.958  -1.509  0.00  0.00    -0.175 NA
ENDBRANCH  18  19
ENDBRANCH   3  18
TORSDOF 4