REMARK  Name = BDB052626
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.565  -1.492   1.657  0.00  0.00    +0.158 C 
ENDROOT
BRANCH   1   3
ATOM      2  C   LIG    1        2.249   0.356   2.086  0.00  0.00    +0.111 A 
ATOM      3  N   LIG    1        1.798  -0.758   1.405  0.00  0.00    -0.323 N 
ATOM      4  C   LIG    1        2.755  -1.106   0.474  0.00  0.00    +0.070 A 
ATOM      5  C   LIG    1        3.760  -0.165   0.648  0.00  0.00    +0.090 A 
ATOM      6  C   LIG    1        4.909  -0.219  -0.154  0.00  0.00    +0.038 A 
ATOM      7  C   LIG    1        5.028  -1.227  -1.127  0.00  0.00    -0.016 A 
ATOM      8  C   LIG    1        3.993  -2.178  -1.292  0.00  0.00    -0.016 A 
ATOM      9  C   LIG    1        4.133  -3.175  -2.271  0.00  0.00    +0.008 A 
ATOM     10  C   LIG    1        5.273  -3.236  -3.075  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1        6.289  -2.300  -2.912  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        6.168  -1.302  -1.944  0.00  0.00    +0.008 A 
ATOM     13  C   LIG    1        2.840  -2.125  -0.486  0.00  0.00    +0.036 A 
ATOM     14  N   LIG    1        3.439   0.718   1.645  0.00  0.00    -0.232 NA
BRANCH   2  15
ATOM     15  C   LIG    1        1.510   1.052   3.186  0.00  0.00    +0.074 C 
BRANCH  15  17
ATOM     16  C   LIG    1        0.355   2.829   1.770  0.00  0.00    +0.004 C 
ATOM     17  C   LIG    1        1.320   2.546   2.913  0.00  0.00    +0.004 C 
ENDBRANCH  15  17
ENDBRANCH   2  15
ENDBRANCH   1   3
BRANCH   1  18
ATOM     18  C   LIG    1       -0.657  -0.809   1.092  0.00  0.00    -0.028 A 
ATOM     19  C   LIG    1       -1.802  -0.660   1.889  0.00  0.00    +0.006 A 
ATOM     20  C   LIG    1       -2.953  -0.052   1.379  0.00  0.00    +0.009 A 
ATOM     21  C   LIG    1       -2.995   0.407   0.056  0.00  0.00    -0.017 A 
ATOM     22  C   LIG    1       -1.857   0.244  -0.745  0.00  0.00    +0.009 A 
ATOM     23  C   LIG    1       -0.705  -0.363  -0.236  0.00  0.00    +0.006 A 
BRANCH  21  24
ATOM     24  C   LIG    1       -4.197   1.064  -0.474  0.00  0.00    -0.004 A 
ATOM     25  C   LIG    1       -5.153   0.409  -1.277  0.00  0.00    +0.067 A 
ATOM     26  C   LIG    1       -6.258   1.120  -1.781  0.00  0.00    +0.015 A 
ATOM     27  C   LIG    1       -6.422   2.475  -1.492  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1       -5.487   3.130  -0.698  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1       -4.387   2.433  -0.195  0.00  0.00    +0.009 A 
BRANCH  25  30
ATOM     30  C   LIG    1       -5.044  -1.040  -1.582  0.00  0.00    +0.337 C 
ATOM     31  O   LIG    1       -4.597  -1.920  -0.873  0.00  0.00    -0.245 OA
BRANCH  30  32
ATOM     32  O   LIG    1       -5.516  -1.321  -2.813  0.00  0.00    -0.477 OA
ATOM     33  H   LIG    1       -5.371  -2.287  -2.899  0.00  0.00    +0.295 HD
ENDBRANCH  30  32
ENDBRANCH  25  30
ENDBRANCH  21  24
ENDBRANCH   1  18
TORSDOF 7