REMARK  Name = BDB015017
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.619   1.444  -3.486  0.00  0.00    +0.055 C 
ATOM      2  C   LIG    1       -1.302   0.177  -2.690  0.00  0.00    +0.200 C 
ENDROOT
BRANCH   2   3
ATOM      3  C   LIG    1       -2.438  -0.182  -1.700  0.00  0.00    +0.169 C 
BRANCH   3   4
ATOM      4  O   LIG    1       -2.204  -1.515  -1.209  0.00  0.00    -0.387 OA
ATOM      5  H   LIG    1       -1.386  -1.476  -0.679  0.00  0.00    +0.210 HD
ENDBRANCH   3   4
BRANCH   3   6
ATOM      6  C   LIG    1       -2.544   0.800  -0.501  0.00  0.00    +0.119 C 
BRANCH   6   7
ATOM      7  N   LIG    1       -3.773   0.775   0.315  0.00  0.00    -0.295 NA
ATOM      8  C   LIG    1       -4.038  -0.530   0.941  0.00  0.00    +0.120 C 
ATOM      9  C   LIG    1       -5.285  -0.522   1.804  0.00  0.00    -0.030 A 
ATOM     10  C   LIG    1       -6.300   0.428   1.591  0.00  0.00    -0.042 A 
ATOM     11  C   LIG    1       -7.462   0.393   2.374  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1       -7.627  -0.595   3.345  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1       -6.632  -1.549   3.545  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1       -6.107   1.521   0.569  0.00  0.00    +0.051 C 
ATOM     15  C   LIG    1       -5.468  -1.516   2.776  0.00  0.00    +0.005 A 
ATOM     16  C   LIG    1       -4.963   1.226  -0.414  0.00  0.00    +0.089 C 
ENDBRANCH   6   7
ENDBRANCH   3   6
ENDBRANCH   2   3
BRANCH   2  17
ATOM     17  O   LIG    1       -0.085   0.433  -1.974  0.00  0.00    -0.486 OA
BRANCH  17  18
ATOM     18  C   LIG    1        0.916  -0.495  -1.973  0.00  0.00    +0.121 A 
ATOM     19  C   LIG    1        2.135  -0.020  -1.477  0.00  0.00    +0.050 A 
ATOM     20  C   LIG    1        3.262  -0.852  -1.397  0.00  0.00    -0.030 A 
ATOM     21  C   LIG    1        3.145  -2.186  -1.804  0.00  0.00    +0.005 A 
ATOM     22  C   LIG    1        1.931  -2.669  -2.290  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1        0.818  -1.826  -2.374  0.00  0.00    +0.045 A 
BRANCH  20  24
ATOM     24  C   LIG    1        4.572  -0.329  -0.852  0.00  0.00    +0.116 C 
BRANCH  24  25
ATOM     25  N   LIG    1        4.805  -0.841   0.494  0.00  0.00    -0.309 NA
ATOM     26  H   LIG    1        3.965  -0.690   1.052  0.00  0.00    +0.123 HD
BRANCH  25  27
ATOM     27  C   LIG    1        5.956  -0.286   1.194  0.00  0.00    +0.054 C 
ATOM     28  C   LIG    1        7.278  -0.201   0.433  0.00  0.00    +0.019 C 
ATOM     29  C   LIG    1        8.151   0.640   1.359  0.00  0.00    +0.002 C 
ATOM     30  C   LIG    1        7.193   1.591   2.081  0.00  0.00    +0.002 C 
ATOM     31  C   LIG    1        5.778   1.143   1.711  0.00  0.00    +0.019 C 
ENDBRANCH  25  27
ENDBRANCH  24  25
ENDBRANCH  20  24
ENDBRANCH  17  18
ENDBRANCH   2  17
TORSDOF 9