REMARK  Name = BDB050941
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.567  -1.850   0.580  0.00  0.00    +0.217 C 
ATOM      2  N   LIG    1       -1.752  -1.158   0.781  0.00  0.00    -0.285 N 
ATOM      3  H   LIG    1       -2.064  -1.106   1.738  0.00  0.00    +0.155 HD
ATOM      4  O   LIG    1       -0.062  -2.136  -0.499  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -2.583  -0.534  -0.189  0.00  0.00    +0.041 A 
ATOM      6  C   LIG    1       -3.834   0.044   0.216  0.00  0.00    +0.007 A 
ATOM      7  C   LIG    1       -4.644   0.692  -0.761  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1       -5.857   1.305  -0.363  0.00  0.00    +0.012 A 
ATOM      9  C   LIG    1       -6.304   1.262   0.955  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -5.546   0.609   1.910  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -4.202   0.717  -2.100  0.00  0.00    +0.125 A 
ATOM     12  C   LIG    1       -2.984   0.172  -2.476  0.00  0.00    +0.048 A 
ATOM     13  C   LIG    1       -4.334   0.015   1.548  0.00  0.00    +0.010 A 
ATOM     14  C   LIG    1       -2.181  -0.449  -1.527  0.00  0.00    +0.027 A 
BRANCH  11  15
ATOM     15  O   LIG    1       -4.937   1.263  -3.119  0.00  0.00    -0.506 OA
ATOM     16  H   LIG    1       -5.876   1.130  -2.915  0.00  0.00    +0.292 HD
ENDBRANCH  11  15
ENDBRANCH   2   5
BRANCH   1  17
ATOM     17  C   LIG    1        0.048  -2.297   1.901  0.00  0.00    +0.096 C 
BRANCH  17  18
ATOM     18  C   LIG    1        1.534  -2.657   1.817  0.00  0.00    +0.009 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.476  -1.468   2.047  0.00  0.00    +0.000 C 
BRANCH  19  20
ATOM     20  C   LIG    1        2.432  -0.359   0.993  0.00  0.00    +0.000 C 
BRANCH  20  21
ATOM     21  C   LIG    1        3.021  -0.786  -0.354  0.00  0.00    +0.000 C 
BRANCH  21  22
ATOM     22  C   LIG    1        2.835   0.263  -1.455  0.00  0.00    -0.000 C 
BRANCH  22  23
ATOM     23  C   LIG    1        3.455   1.637  -1.182  0.00  0.00    -0.000 C 
BRANCH  23  25
ATOM     24  C   LIG    1        5.550   2.988  -0.823  0.00  0.00    +0.004 C 
ATOM     25  C   LIG    1        4.969   1.591  -0.977  0.00  0.00    -0.003 C 
ENDBRANCH  23  25
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 10