REMARK  Name = BDB031763
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.824   0.721   2.205  0.00  0.00    -0.041 A 
ATOM      2  C   LIG    1       -0.591   1.650   1.173  0.00  0.00    +0.031 A 
ATOM      3  C   LIG    1        0.545   1.492   0.371  0.00  0.00    +0.068 A 
ATOM      4  C   LIG    1        1.471   0.474   0.552  0.00  0.00    +0.041 A 
ATOM      5  C   LIG    1        2.459   0.681  -0.463  0.00  0.00    +0.154 A 
ATOM      6  N   LIG    1        2.151   1.739  -1.217  0.00  0.00    -0.157 NA
ATOM      7  C   LIG    1        1.258  -0.444   1.597  0.00  0.00    +0.014 A 
ATOM      8  N   LIG    1        1.012   2.207  -0.695  0.00  0.00    -0.275 N 
ATOM      9  H   LIG    1        0.596   3.027  -1.121  0.00  0.00    +0.189 HD
ATOM     10  C   LIG    1        0.118  -0.303   2.405  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   1  15
ATOM     11  C   LIG    1       -3.901  -0.383  -1.132  0.00  0.00    +0.120 A 
ATOM     12  C   LIG    1       -3.295  -0.353   0.133  0.00  0.00    +0.052 A 
ATOM     13  C   LIG    1       -3.830   0.453   1.127  0.00  0.00    -0.007 A 
ATOM     14  C   LIG    1       -3.451   0.721   2.557  0.00  0.00    +0.081 C 
ATOM     15  C   LIG    1       -2.040   0.853   3.093  0.00  0.00    +0.040 C 
ATOM     16  C   LIG    1       -4.523   1.668   3.047  0.00  0.00    +0.228 C 
ATOM     17  N   LIG    1       -5.370   1.911   1.980  0.00  0.00    -0.284 N 
ATOM     18  H   LIG    1       -6.176   2.512   2.051  0.00  0.00    +0.155 HD
ATOM     19  O   LIG    1       -4.603   2.121   4.176  0.00  0.00    -0.274 OA
ATOM     20  C   LIG    1       -2.888  -0.355   3.439  0.00  0.00    +0.031 C 
ATOM     21  C   LIG    1       -4.981   1.201   0.842  0.00  0.00    +0.038 A 
ATOM     22  C   LIG    1       -5.606   1.193  -0.387  0.00  0.00    +0.027 A 
ATOM     23  C   LIG    1       -5.050   0.388  -1.385  0.00  0.00    +0.047 A 
BRANCH  11  25
ATOM     24  C   LIG    1       -3.790  -1.220  -3.358  0.00  0.00    +0.277 C 
ATOM     25  O   LIG    1       -3.280  -1.209  -2.031  0.00  0.00    -0.495 OA
ENDBRANCH  11  25
ENDBRANCH   1  15
BRANCH   5  26
ATOM     26  N   LIG    1        3.527  -0.135  -0.591  0.00  0.00    -0.278 N 
ATOM     27  H   LIG    1        3.670  -0.880   0.079  0.00  0.00    +0.155 HD
BRANCH  26  28
ATOM     28  C   LIG    1        4.668  -0.015  -1.423  0.00  0.00    +0.189 A 
ATOM     29  C   LIG    1        5.604  -1.067  -1.402  0.00  0.00    +0.163 A 
ATOM     30  C   LIG    1        6.726  -0.995  -2.224  0.00  0.00    +0.070 A 
ATOM     31  C   LIG    1        6.868   0.113  -3.032  0.00  0.00    +0.138 A 
ATOM     32  N   LIG    1        5.972   1.112  -3.052  0.00  0.00    -0.156 NA
ATOM     33  N   LIG    1        4.866   1.040  -2.243  0.00  0.00    -0.130 NA
BRANCH  29  34
ATOM     34  O   LIG    1        5.330  -2.101  -0.533  0.00  0.00    -0.492 OA
ATOM     35  C   LIG    1        6.213  -3.216  -0.556  0.00  0.00    +0.277 C 
ENDBRANCH  29  34
ENDBRANCH  26  28
ENDBRANCH   5  26
TORSDOF 5