REMARK  Name = BDB012190
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.928   1.451   0.005  0.00  0.00    -0.276 OA
ATOM      2  C   LIG    1        0.442   0.412   0.448  0.00  0.00    +0.216 C 
ATOM      3  N   LIG    1       -0.921   0.134   0.362  0.00  0.00    -0.301 N 
ATOM      4  C   LIG    1       -1.551  -1.011   1.020  0.00  0.00    +0.109 C 
ATOM      5  C   LIG    1       -3.074  -0.978   0.955  0.00  0.00    +0.042 C 
ATOM      6  C   LIG    1       -3.530  -0.756  -0.490  0.00  0.00    +0.084 C 
ATOM      7  C   LIG    1       -2.843   0.441  -1.171  0.00  0.00    +0.042 C 
ATOM      8  C   LIG    1       -1.796   1.108  -0.283  0.00  0.00    +0.109 C 
ENDROOT
BRANCH   6   9
ATOM      9  N   LIG    1       -4.980  -0.763  -0.626  0.00  0.00    -0.268 N 
ATOM     10  C   LIG    1       -5.874   0.203  -0.137  0.00  0.00    +0.040 A 
ATOM     11  C   LIG    1       -7.182  -0.191  -0.428  0.00  0.00    -0.017 A 
ATOM     12  C   LIG    1       -8.271   0.581  -0.060  0.00  0.00    +0.006 A 
ATOM     13  C   LIG    1       -8.028   1.775   0.618  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1       -6.715   2.174   0.915  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1       -7.170  -1.502  -1.148  0.00  0.00    +0.133 C 
ATOM     16  C   LIG    1       -5.624   1.384   0.537  0.00  0.00    +0.024 A 
ATOM     17  C   LIG    1       -5.678  -1.826  -1.220  0.00  0.00    +0.224 C 
ATOM     18  O   LIG    1       -5.201  -2.840  -1.708  0.00  0.00    -0.275 OA
ENDBRANCH   6   9
BRANCH   2  19
ATOM     19  C   LIG    1        1.307  -0.641   1.132  0.00  0.00    +0.096 C 
BRANCH  19  20
ATOM     20  C   LIG    1        2.808  -0.353   1.055  0.00  0.00    +0.017 C 
BRANCH  20  21
ATOM     21  C   LIG    1        3.381  -0.579  -0.345  0.00  0.00    +0.075 C 
BRANCH  21  22
ATOM     22  C   LIG    1        4.883  -0.410  -0.339  0.00  0.00    +0.110 A 
ATOM     23  N   LIG    1        5.599  -1.460   0.173  0.00  0.00    -0.310 N 
ATOM     24  H   LIG    1        5.137  -2.293   0.505  0.00  0.00    +0.170 HD
ATOM     25  C   LIG    1        6.967  -1.464   0.263  0.00  0.00    +0.259 A 
ATOM     26  O   LIG    1        7.585  -2.418   0.722  0.00  0.00    -0.267 OA
ATOM     27  C   LIG    1        7.640  -0.251  -0.228  0.00  0.00    +0.065 A 
ATOM     28  C   LIG    1        6.832   0.772  -0.731  0.00  0.00    +0.078 A 
ATOM     29  C   LIG    1        7.444   1.935  -1.202  0.00  0.00    +0.028 A 
ATOM     30  C   LIG    1        8.836   2.069  -1.171  0.00  0.00    +0.002 A 
ATOM     31  C   LIG    1        9.630   1.038  -0.666  0.00  0.00    +0.001 A 
ATOM     32  C   LIG    1        9.033  -0.130  -0.191  0.00  0.00    +0.015 A 
ATOM     33  N   LIG    1        5.431   0.675  -0.778  0.00  0.00    -0.234 NA
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH   2  19
TORSDOF 5