REMARK  Name = BDB044286
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.625   0.523   0.149  0.00  0.00    -0.278 N 
ATOM      2  H   LIG    1        0.669   0.387   1.155  0.00  0.00    +0.155 HD
ATOM      3  C   LIG    1       -0.599   0.253  -0.430  0.00  0.00    +0.269 C 
ATOM      4  O   LIG    1       -0.863   0.345  -1.625  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -1.594  -0.176   0.571  0.00  0.00    +0.151 A 
ATOM      6  C   LIG    1       -2.951  -0.532   0.356  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1       -3.776  -0.593  -0.885  0.00  0.00    +0.047 C 
ATOM      8  C   LIG    1       -5.291  -0.754  -0.566  0.00  0.00    +0.027 C 
ATOM      9  C   LIG    1       -5.535  -1.721   0.627  0.00  0.00    +0.015 C 
ATOM     10  C   LIG    1       -4.813  -1.303   1.924  0.00  0.00    +0.056 C 
ATOM     11  C   LIG    1       -3.434  -0.871   1.597  0.00  0.00    +0.040 A 
ATOM     12  N   LIG    1       -2.411  -0.702   2.474  0.00  0.00    -0.281 N 
ATOM     13  H   LIG    1       -2.409  -0.851   3.478  0.00  0.00    +0.189 HD
ATOM     14  N   LIG    1       -1.276  -0.277   1.884  0.00  0.00    -0.169 NA
BRANCH   8  15
ATOM     15  C   LIG    1       -6.013   0.555  -0.371  0.00  0.00    -0.007 A 
ATOM     16  C   LIG    1       -5.564   1.741   0.174  0.00  0.00    +0.108 A 
ATOM     17  N   LIG    1       -6.606   2.619   0.114  0.00  0.00    -0.284 N 
ATOM     18  H   LIG    1       -6.632   3.587   0.416  0.00  0.00    +0.188 HD
ATOM     19  N   LIG    1       -7.717   2.088  -0.419  0.00  0.00    -0.182 NA
ATOM     20  C   LIG    1       -7.356   0.840  -0.722  0.00  0.00    +0.138 A 
ENDBRANCH   8  15
ENDBRANCH   3   5
BRANCH   1  24
ATOM     21  N   LIG    1        3.809   1.569  -0.926  0.00  0.00    -0.265 N 
ATOM     22  N   LIG    1        3.227   1.592  -2.143  0.00  0.00    -0.177 NA
ATOM     23  C   LIG    1        1.972   1.199  -1.897  0.00  0.00    +0.157 A 
ATOM     24  C   LIG    1        1.748   0.939  -0.528  0.00  0.00    +0.072 A 
ATOM     25  C   LIG    1        2.956   1.197   0.076  0.00  0.00    +0.132 A 
BRANCH  21  26
ATOM     26  C   LIG    1        5.206   1.958  -0.781  0.00  0.00    +0.178 C 
BRANCH  26  29
ATOM     27  C   LIG    1        7.576  -0.624   0.745  0.00  0.00    +0.052 A 
ATOM     28  C   LIG    1        6.745   0.495   0.602  0.00  0.00    +0.024 A 
ATOM     29  C   LIG    1        6.105   0.756  -0.620  0.00  0.00    -0.025 A 
ATOM     30  C   LIG    1        6.314  -0.122  -1.695  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1        7.141  -1.237  -1.554  0.00  0.00    +0.002 A 
ATOM     32  C   LIG    1        7.772  -1.489  -0.336  0.00  0.00    +0.019 A 
BRANCH  27  34
ATOM     33  N   LIG    1        8.739  -1.084   3.018  0.00  0.00    -0.191 NA
ATOM     34  C   LIG    1        8.222  -0.882   1.998  0.00  0.00    +0.099 C 
ENDBRANCH  27  34
ENDBRANCH  26  29
ENDBRANCH  21  26
ENDBRANCH   1  24
TORSDOF 6