REMARK  Name = BDB018760
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -6.651   0.403  -0.807  0.00  0.00    -0.268 N 
ATOM      2  C   LIG    1       -6.122  -0.992  -0.838  0.00  0.00    +0.132 C 
ATOM      3  C   LIG    1       -4.856  -0.949   0.021  0.00  0.00    +0.069 C 
ATOM      4  C   LIG    1       -4.554  -2.309   0.636  0.00  0.00    +0.225 C 
ATOM      5  O   LIG    1       -5.388  -3.204   0.745  0.00  0.00    -0.275 OA
ATOM      6  N   LIG    1       -3.304  -2.463   1.179  0.00  0.00    -0.285 N 
ATOM      7  H   LIG    1       -3.154  -3.312   1.710  0.00  0.00    +0.155 HD
ATOM      8  C   LIG    1       -2.236  -1.591   0.947  0.00  0.00    +0.037 A 
ATOM      9  C   LIG    1       -2.372  -0.566   0.008  0.00  0.00    -0.025 A 
ATOM     10  C   LIG    1       -1.288   0.286  -0.241  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1       -0.072   0.135   0.449  0.00  0.00    -0.017 A 
ATOM     12  C   LIG    1        0.035  -0.908   1.384  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1       -1.037  -1.772   1.629  0.00  0.00    +0.024 A 
ATOM     14  C   LIG    1       -3.645  -0.459  -0.789  0.00  0.00    +0.054 C 
ATOM     15  C   LIG    1       -5.274   0.042   1.118  0.00  0.00    +0.037 C 
ATOM     16  C   LIG    1       -6.096   1.095   0.385  0.00  0.00    +0.117 C 
ENDROOT
BRANCH  11  17
ATOM     17  C   LIG    1        1.061   1.037   0.189  0.00  0.00    -0.016 A 
ATOM     18  C   LIG    1        2.317   0.527  -0.202  0.00  0.00    +0.031 A 
ATOM     19  C   LIG    1        3.427   1.353  -0.449  0.00  0.00    +0.030 A 
ATOM     20  C   LIG    1        3.233   2.735  -0.296  0.00  0.00    +0.023 A 
ATOM     21  C   LIG    1        2.000   3.269   0.086  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1        0.921   2.424   0.327  0.00  0.00    +0.008 A 
BRANCH  19  23
ATOM     23  N   LIG    1        4.678   0.861  -0.841  0.00  0.00    -0.330 N 
ATOM     24  C   LIG    1        4.813  -0.482  -1.416  0.00  0.00    +0.105 C 
ATOM     25  C   LIG    1        5.387  -1.443  -0.380  0.00  0.00    +0.019 C 
ATOM     26  C   LIG    1        6.759  -0.982   0.121  0.00  0.00    +0.003 C 
ATOM     27  C   LIG    1        7.054   0.480  -0.215  0.00  0.00    +0.019 C 
ATOM     28  C   LIG    1        5.817   1.361  -0.046  0.00  0.00    +0.105 C 
ENDBRANCH  19  23
ENDBRANCH  11  17
BRANCH   1  30
ATOM     29  N   LIG    1       -8.681   1.162  -2.046  0.00  0.00    -0.174 NA
ATOM     30  C   LIG    1       -7.740   0.808  -1.473  0.00  0.00    +0.169 C 
ENDBRANCH   1  30
TORSDOF 3