REMARK  Name = BDB051710
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.424   1.823  -1.134  0.00  0.00    +0.173 C 
ATOM      2  N   LIG    1       -2.720   1.297  -0.775  0.00  0.00    -0.264 N 
ATOM      3  C   LIG    1       -3.004   0.080  -0.230  0.00  0.00    +0.091 A 
ATOM      4  C   LIG    1       -2.129  -1.012   0.146  0.00  0.00    +0.097 A 
ATOM      5  C   LIG    1       -2.695  -2.068   0.844  0.00  0.00    -0.001 A 
ATOM      6  C   LIG    1       -4.134  -2.042   1.301  0.00  0.00    +0.043 C 
ATOM      7  C   LIG    1       -5.076  -1.173   0.428  0.00  0.00    +0.044 C 
ATOM      8  C   LIG    1       -1.815  -3.070   1.162  0.00  0.00    +0.120 A 
ATOM      9  N   LIG    1       -0.514  -3.050   0.809  0.00  0.00    -0.223 NA
ATOM     10  C   LIG    1       -0.077  -1.984   0.121  0.00  0.00    +0.216 A 
ATOM     11  N   LIG    1       -0.842  -0.941  -0.220  0.00  0.00    -0.213 NA
ATOM     12  C   LIG    1       -4.377   0.037  -0.089  0.00  0.00    +0.012 A 
ATOM     13  C   LIG    1       -4.851   1.284  -0.564  0.00  0.00    +0.151 A 
ATOM     14  N   LIG    1       -3.822   2.060  -0.973  0.00  0.00    -0.166 NA
ENDROOT
BRANCH  13  15
ATOM     15  C   LIG    1       -6.244   1.745  -0.649  0.00  0.00    +0.262 C 
ATOM     16  O   LIG    1       -7.215   1.075  -0.312  0.00  0.00    -0.269 OA
ATOM     17  N   LIG    1       -6.383   3.009  -1.149  0.00  0.00    -0.324 N 
ATOM     18  H   LIG    1       -5.549   3.497  -1.455  0.00  0.00    +0.145 HD
ATOM     19  H   LIG    1       -7.302   3.395  -1.294  0.00  0.00    +0.145 HD
ENDBRANCH  13  15
BRANCH  10  20
ATOM     20  N   LIG    1        1.268  -2.015  -0.225  0.00  0.00    -0.312 N 
ATOM     21  H   LIG    1        1.671  -2.744   0.356  0.00  0.00    +0.149 HD
BRANCH  20  22
ATOM     22  C   LIG    1        1.932  -0.720  -0.148  0.00  0.00    +0.119 C 
BRANCH  22  23
ATOM     23  C   LIG    1        3.427  -0.876  -0.508  0.00  0.00    +0.103 C 
BRANCH  23  24
ATOM     24  N   LIG    1        4.189   0.386  -0.488  0.00  0.00    -0.297 NA
ATOM     25  C   LIG    1        4.233   0.988   0.864  0.00  0.00    +0.112 C 
ATOM     26  C   LIG    1        5.457   1.896   1.054  0.00  0.00    +0.175 C 
ATOM     27  O   LIG    1        6.694   1.175   0.963  0.00  0.00    -0.377 OA
ATOM     28  C   LIG    1        6.625   0.050   0.077  0.00  0.00    +0.175 C 
ATOM     29  C   LIG    1        5.559   0.204  -1.019  0.00  0.00    +0.112 C 
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH  10  20
TORSDOF 5