REMARK  Name = BDB012262
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.603   1.435  -1.557  0.00  0.00    -0.276 OA
ATOM      2  C   LIG    1       -1.438   1.865  -0.418  0.00  0.00    +0.214 C 
ATOM      3  N   LIG    1       -0.294   1.656   0.320  0.00  0.00    -0.312 N 
ATOM      4  H   LIG    1       -0.319   1.873   1.309  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        0.788   0.809  -0.171  0.00  0.00    +0.073 C 
ATOM      6  C   LIG    1        0.412  -0.675  -0.011  0.00  0.00    +0.023 C 
ATOM      7  C   LIG    1        1.645  -1.560   0.125  0.00  0.00    +0.015 C 
ATOM      8  C   LIG    1        2.450  -1.208   1.389  0.00  0.00    +0.077 C 
ATOM      9  C   LIG    1        2.370   0.288   1.751  0.00  0.00    +0.015 C 
ATOM     10  C   LIG    1        2.111   1.167   0.528  0.00  0.00    +0.023 C 
BRANCH   8  11
ATOM     11  C   LIG    1        3.862  -1.671   1.257  0.00  0.00    +0.221 A 
ATOM     12  O   LIG    1        4.667  -1.014   0.368  0.00  0.00    -0.418 OA
ATOM     13  C   LIG    1        5.860  -1.688   0.513  0.00  0.00    +0.286 A 
ATOM     14  N   LIG    1        5.773  -2.659   1.406  0.00  0.00    -0.104 NA
ATOM     15  N   LIG    1        4.479  -2.646   1.887  0.00  0.00    -0.112 NA
BRANCH  13  16
ATOM     16  C   LIG    1        6.982  -1.236  -0.307  0.00  0.00    +0.217 A 
ATOM     17  N   LIG    1        8.153  -1.889  -0.163  0.00  0.00    -0.232 NA
ATOM     18  C   LIG    1        9.174  -1.452  -0.923  0.00  0.00    +0.115 A 
ATOM     19  C   LIG    1        9.067  -0.404  -1.807  0.00  0.00    +0.039 A 
ATOM     20  C   LIG    1        7.831   0.193  -1.878  0.00  0.00    +0.115 A 
ATOM     21  N   LIG    1        6.772  -0.197  -1.144  0.00  0.00    -0.232 NA
ENDBRANCH  13  16
ENDBRANCH   8  11
ENDBRANCH   3   5
BRANCH   2  22
ATOM     22  C   LIG    1       -2.487   2.670   0.320  0.00  0.00    +0.103 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -3.730   2.915  -0.530  0.00  0.00    +0.083 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -4.620   1.695  -0.549  0.00  0.00    +0.111 A 
ATOM     25  N   LIG    1       -4.226   0.668  -1.363  0.00  0.00    -0.310 N 
ATOM     26  H   LIG    1       -3.345   0.729  -1.871  0.00  0.00    +0.170 HD
ATOM     27  C   LIG    1       -4.901  -0.523  -1.456  0.00  0.00    +0.259 A 
ATOM     28  O   LIG    1       -4.505  -1.459  -2.140  0.00  0.00    -0.267 OA
ATOM     29  C   LIG    1       -6.136  -0.611  -0.658  0.00  0.00    +0.065 A 
ATOM     30  C   LIG    1       -6.470   0.490   0.137  0.00  0.00    +0.078 A 
ATOM     31  C   LIG    1       -7.633   0.428   0.907  0.00  0.00    +0.028 A 
ATOM     32  C   LIG    1       -8.443  -0.711   0.882  0.00  0.00    +0.002 A 
ATOM     33  C   LIG    1       -8.096  -1.802   0.085  0.00  0.00    +0.001 A 
ATOM     34  C   LIG    1       -6.938  -1.756  -0.690  0.00  0.00    +0.015 A 
ATOM     35  N   LIG    1       -5.679   1.651   0.192  0.00  0.00    -0.234 NA
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH   2  22
TORSDOF 6