REMARK  Name = BDB061292
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.629   0.317   0.452  0.00  0.00    +0.035 A 
ATOM      2  C   LIG    1        1.227  -0.052  -0.833  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1       -0.132  -0.102  -1.164  0.00  0.00    +0.048 A 
ATOM      4  C   LIG    1       -1.095   0.197  -0.204  0.00  0.00    +0.131 A 
ATOM      5  C   LIG    1       -0.708   0.583   1.078  0.00  0.00    +0.048 A 
ATOM      6  C   LIG    1        0.650   0.630   1.406  0.00  0.00    +0.027 A 
ENDROOT
BRANCH   1  10
ATOM      7  N   LIG    1        5.246   0.249   0.874  0.00  0.00    -0.269 N 
ATOM      8  H   LIG    1        5.091   0.034   1.846  0.00  0.00    +0.156 HD
ATOM      9  C   LIG    1        4.111   0.282   0.074  0.00  0.00    +0.308 C 
ATOM     10  N   LIG    1        2.976   0.377   0.868  0.00  0.00    -0.269 N 
ATOM     11  H   LIG    1        3.130   0.671   1.820  0.00  0.00    +0.156 HD
ATOM     12  O   LIG    1        4.111   0.237  -1.149  0.00  0.00    -0.252 OA
BRANCH   7  16
ATOM     13  C   LIG    1        9.331   0.302  -0.221  0.00  0.00    +0.120 A 
ATOM     14  C   LIG    1        8.927   0.064   1.093  0.00  0.00    +0.047 A 
ATOM     15  C   LIG    1        7.570   0.049   1.431  0.00  0.00    +0.027 A 
ATOM     16  C   LIG    1        6.592   0.269   0.455  0.00  0.00    +0.035 A 
ATOM     17  C   LIG    1        6.999   0.515  -0.857  0.00  0.00    +0.027 A 
ATOM     18  C   LIG    1        8.360   0.530  -1.195  0.00  0.00    +0.047 A 
BRANCH  13  20
ATOM     19  C   LIG    1       11.140   0.508  -1.746  0.00  0.00    +0.277 C 
ATOM     20  O   LIG    1       10.683   0.290  -0.417  0.00  0.00    -0.495 OA
ENDBRANCH  13  20
ENDBRANCH   7  16
ENDBRANCH   1  10
BRANCH   4  21
ATOM     21  O   LIG    1       -2.411   0.189  -0.597  0.00  0.00    -0.437 OA
BRANCH  21  22
ATOM     22  C   LIG    1       -3.293  -0.612   0.126  0.00  0.00    +0.231 A 
ATOM     23  C   LIG    1       -4.652  -0.296   0.037  0.00  0.00    +0.062 A 
ATOM     24  C   LIG    1       -5.500  -1.144   0.746  0.00  0.00    +0.080 A 
ATOM     25  C   LIG    1       -6.872  -0.889   0.712  0.00  0.00    +0.051 A 
ATOM     26  C   LIG    1       -7.462   0.169  -0.011  0.00  0.00    +0.031 A 
ATOM     27  C   LIG    1       -6.573   1.006  -0.700  0.00  0.00    +0.024 A 
ATOM     28  N   LIG    1       -5.041  -2.188   1.454  0.00  0.00    -0.235 NA
ATOM     29  C   LIG    1       -3.717  -2.397   1.450  0.00  0.00    +0.225 A 
ATOM     30  C   LIG    1       -5.193   0.783  -0.688  0.00  0.00    +0.017 A 
ATOM     31  N   LIG    1       -2.804  -1.661   0.817  0.00  0.00    -0.201 NA
BRANCH  26  32
ATOM     32  N   LIG    1       -8.843   0.399  -0.005  0.00  0.00    -0.336 N 
ATOM     33  C   LIG    1       -9.736  -0.631   0.527  0.00  0.00    +0.129 C 
ATOM     34  C   LIG    1       -9.422   1.262  -1.034  0.00  0.00    +0.129 C 
ENDBRANCH  26  32
ENDBRANCH  21  22
ENDBRANCH   4  21
TORSDOF 6