REMARK  Name = BDB028104
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.037  -0.737  -2.767  0.00  0.00    -0.030 A 
ATOM      2  C   LIG    1       -0.618   0.432  -2.253  0.00  0.00    +0.018 A 
ATOM      3  C   LIG    1       -1.746   0.299  -1.465  0.00  0.00    +0.042 A 
ATOM      4  C   LIG    1       -2.532   1.344  -0.801  0.00  0.00    +0.248 C 
ATOM      5  N   LIG    1       -3.540   0.702  -0.094  0.00  0.00    -0.282 N 
ATOM      6  C   LIG    1       -3.537  -0.738  -0.323  0.00  0.00    +0.144 C 
ATOM      7  O   LIG    1       -2.301   2.535  -0.875  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1       -2.330  -0.931  -1.179  0.00  0.00    -0.018 A 
ATOM      9  C   LIG    1       -1.784  -2.093  -1.689  0.00  0.00    +0.006 A 
ATOM     10  C   LIG    1       -0.636  -1.990  -2.486  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -4.657   1.433   0.502  0.00  0.00    +0.163 C 
ATOM     12  C   LIG    1       -5.937   1.272  -0.335  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1       -5.962   1.333  -1.563  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1       -7.086   1.005   0.365  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1       -7.913   0.939  -0.215  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -7.122   0.146   1.429  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1       -8.134  -0.499   1.686  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1       -5.828  -0.062   2.178  0.00  0.00    +0.098 C 
ATOM     19  C   LIG    1       -4.874   1.103   1.980  0.00  0.00    +0.041 C 
ENDBRANCH   5  11
BRANCH   1  20
ATOM     20  C   LIG    1        1.191  -0.644  -3.640  0.00  0.00    +0.141 C 
BRANCH  20  24
ATOM     21  N   LIG    1        2.901  -0.680  -1.323  0.00  0.00    -0.269 N 
ATOM     22  H   LIG    1        1.971  -0.294  -1.290  0.00  0.00    +0.156 HD
ATOM     23  C   LIG    1        3.130  -1.596  -2.311  0.00  0.00    +0.304 C 
ATOM     24  N   LIG    1        2.198  -1.632  -3.309  0.00  0.00    -0.295 N 
ATOM     25  H   LIG    1        2.460  -2.288  -4.033  0.00  0.00    +0.151 HD
ATOM     26  O   LIG    1        4.073  -2.377  -2.388  0.00  0.00    -0.252 OA
BRANCH  21  30
ATOM     27  C   LIG    1        5.275   0.394   2.009  0.00  0.00    -0.048 A 
ATOM     28  C   LIG    1        5.798  -0.465   1.036  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1        5.032  -0.839  -0.075  0.00  0.00    +0.023 A 
ATOM     30  C   LIG    1        3.732  -0.360  -0.231  0.00  0.00    +0.035 A 
ATOM     31  C   LIG    1        3.211   0.509   0.736  0.00  0.00    +0.023 A 
ATOM     32  C   LIG    1        3.975   0.884   1.846  0.00  0.00    +0.005 A 
BRANCH  27  34
ATOM     33  C   LIG    1        6.912   2.068   2.906  0.00  0.00    +0.009 C 
ATOM     34  C   LIG    1        6.109   0.808   3.193  0.00  0.00    +0.032 C 
ENDBRANCH  27  34
ENDBRANCH  21  30
ENDBRANCH  20  24
ENDBRANCH   1  20
TORSDOF 5