REMARK  Name = BDB031739
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.855   1.706   1.759  0.00  0.00    -0.041 A 
ATOM      2  C   LIG    1        0.611   0.321   1.827  0.00  0.00    +0.031 A 
ATOM      3  C   LIG    1       -0.603  -0.172   1.333  0.00  0.00    +0.068 A 
ATOM      4  C   LIG    1       -1.592   0.638   0.795  0.00  0.00    +0.041 A 
ATOM      5  C   LIG    1       -2.647  -0.257   0.419  0.00  0.00    +0.152 A 
ATOM      6  N   LIG    1       -2.323  -1.523   0.709  0.00  0.00    -0.158 NA
ATOM      7  C   LIG    1       -1.365   2.026   0.746  0.00  0.00    +0.014 A 
ATOM      8  N   LIG    1       -1.100  -1.441   1.250  0.00  0.00    -0.275 N 
ATOM      9  H   LIG    1       -0.649  -2.298   1.546  0.00  0.00    +0.189 HD
ATOM     10  C   LIG    1       -0.150   2.534   1.232  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   1  15
ATOM     11  C   LIG    1        3.516  -0.123  -1.622  0.00  0.00    +0.120 A 
ATOM     12  C   LIG    1        3.026   0.814  -0.700  0.00  0.00    +0.052 A 
ATOM     13  C   LIG    1        3.718   1.036   0.481  0.00  0.00    -0.007 A 
ATOM     14  C   LIG    1        3.493   1.944   1.657  0.00  0.00    +0.081 C 
ATOM     15  C   LIG    1        2.153   2.280   2.281  0.00  0.00    +0.040 C 
ATOM     16  C   LIG    1        4.685   1.688   2.551  0.00  0.00    +0.228 C 
ATOM     17  N   LIG    1        5.456   0.720   1.932  0.00  0.00    -0.284 N 
ATOM     18  H   LIG    1        6.319   0.378   2.326  0.00  0.00    +0.155 HD
ATOM     19  O   LIG    1        4.902   2.241   3.616  0.00  0.00    -0.274 OA
ATOM     20  C   LIG    1        2.919   3.322   1.490  0.00  0.00    +0.031 C 
ATOM     21  C   LIG    1        4.906   0.328   0.711  0.00  0.00    +0.038 A 
ATOM     22  C   LIG    1        5.420  -0.598  -0.173  0.00  0.00    +0.027 A 
ATOM     23  C   LIG    1        4.707  -0.824  -1.354  0.00  0.00    +0.047 A 
BRANCH  11  25
ATOM     24  C   LIG    1        3.183  -1.197  -3.721  0.00  0.00    +0.277 C 
ATOM     25  O   LIG    1        2.745  -0.262  -2.744  0.00  0.00    -0.495 OA
ENDBRANCH  11  25
ENDBRANCH   1  15
BRANCH   5  26
ATOM     26  N   LIG    1       -3.799   0.194  -0.152  0.00  0.00    -0.294 N 
ATOM     27  H   LIG    1       -3.834   1.200  -0.291  0.00  0.00    +0.154 HD
BRANCH  26  28
ATOM     28  C   LIG    1       -4.886  -0.516  -0.558  0.00  0.00    +0.088 A 
ATOM     29  C   LIG    1       -6.069  -0.010  -1.159  0.00  0.00    +0.183 A 
ATOM     30  N   LIG    1       -6.957  -0.975  -1.441  0.00  0.00    -0.159 NA
ATOM     31  N   LIG    1       -6.338  -2.096  -1.018  0.00  0.00    -0.271 N 
ATOM     32  C   LIG    1       -7.002  -3.370  -1.157  0.00  0.00    +0.172 C 
ATOM     33  C   LIG    1       -5.104  -1.872  -0.485  0.00  0.00    +0.132 A 
BRANCH  29  34
ATOM     34  C   LIG    1       -6.378   1.353  -1.473  0.00  0.00    +0.123 C 
ATOM     35  N   LIG    1       -6.570   2.477  -1.702  0.00  0.00    -0.189 NA
ENDBRANCH  29  34
ENDBRANCH  26  28
ENDBRANCH   5  26
TORSDOF 5