REMARK  Name = BDB014987
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.659  -0.166   0.013  0.00  0.00    +0.261 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        1.969  -0.844   0.436  0.00  0.00    +0.166 C 
BRANCH   2   3
ATOM      3  O   LIG    1        1.740  -1.606   1.636  0.00  0.00    -0.387 OA
ATOM      4  H   LIG    1        2.489  -2.221   1.728  0.00  0.00    +0.210 HD
ENDBRANCH   2   3
BRANCH   2   5
ATOM      5  C   LIG    1        3.088   0.181   0.727  0.00  0.00    +0.119 C 
BRANCH   5   6
ATOM      6  N   LIG    1        3.462   1.043  -0.407  0.00  0.00    -0.295 NA
ATOM      7  C   LIG    1        4.170   0.320  -1.481  0.00  0.00    +0.120 C 
ATOM      8  C   LIG    1        5.612  -0.024  -1.175  0.00  0.00    -0.030 A 
ATOM      9  C   LIG    1        6.344   0.716  -0.228  0.00  0.00    -0.042 A 
ATOM     10  C   LIG    1        7.689   0.403   0.010  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1        8.311  -0.622  -0.702  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1        7.594  -1.345  -1.652  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1        5.670   1.800   0.576  0.00  0.00    +0.051 C 
ATOM     14  C   LIG    1        6.252  -1.046  -1.891  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1        4.290   2.186   0.020  0.00  0.00    +0.089 C 
ENDBRANCH   5   6
ENDBRANCH   2   5
ENDBRANCH   1   2
BRANCH   1  16
ATOM     16  O   LIG    1       -0.236  -1.162  -0.518  0.00  0.00    -0.489 OA
BRANCH  16  17
ATOM     17  C   LIG    1       -1.486  -1.127   0.030  0.00  0.00    +0.121 A 
ATOM     18  C   LIG    1       -2.564  -1.017  -0.845  0.00  0.00    +0.049 A 
ATOM     19  C   LIG    1       -3.873  -1.012  -0.353  0.00  0.00    +0.049 A 
ATOM     20  C   LIG    1       -4.106  -1.144   1.016  0.00  0.00    +0.121 A 
ATOM     21  C   LIG    1       -3.019  -1.269   1.886  0.00  0.00    +0.049 A 
ATOM     22  C   LIG    1       -1.711  -1.274   1.396  0.00  0.00    +0.049 A 
BRANCH  20  23
ATOM     23  O   LIG    1       -5.329  -1.145   1.629  0.00  0.00    -0.487 OA
BRANCH  23  24
ATOM     24  C   LIG    1       -6.488  -1.361   0.819  0.00  0.00    +0.264 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -7.064  -0.091   0.233  0.00  0.00    -0.010 A 
ATOM     26  C   LIG    1       -7.794  -0.144  -0.964  0.00  0.00    +0.007 A 
ATOM     27  C   LIG    1       -8.357   1.013  -1.506  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -8.206   2.234  -0.852  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -7.496   2.299   0.345  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -6.933   1.142   0.888  0.00  0.00    +0.007 A 
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 9