REMARK  Name = BDB014996
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.390  -0.833  -1.677  0.00  0.00    -0.372 OA
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        1.429  -0.622  -2.633  0.00  0.00    +0.198 C 
BRANCH   2   5
ATOM      3  C   LIG    1        1.900   2.568  -2.679  0.00  0.00    +0.068 C 
ATOM      4  C   LIG    1        2.751   1.533  -2.041  0.00  0.00    +0.066 A 
ATOM      5  C   LIG    1        2.554   0.136  -2.016  0.00  0.00    +0.022 A 
ATOM      6  C   LIG    1        3.602  -0.355  -1.246  0.00  0.00    +0.047 A 
ATOM      7  C   LIG    1        3.795  -1.748  -0.768  0.00  0.00    +0.066 C 
ATOM      8  N   LIG    1        4.420   0.733  -0.946  0.00  0.00    -0.236 N 
ATOM      9  N   LIG    1        3.849   1.891  -1.378  0.00  0.00    -0.171 NA
BRANCH   8  10
ATOM     10  C   LIG    1        5.694   0.804  -0.297  0.00  0.00    +0.066 A 
ATOM     11  C   LIG    1        6.507  -0.317  -0.095  0.00  0.00    +0.028 A 
ATOM     12  C   LIG    1        7.749  -0.188   0.540  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1        8.195   1.058   0.972  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1        7.406   2.184   0.761  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1        6.168   2.060   0.126  0.00  0.00    +0.028 A 
ENDBRANCH   8  10
ENDBRANCH   2   5
ENDBRANCH   1   2
BRANCH   1  16
ATOM     16  C   LIG    1       -0.728  -1.503  -2.255  0.00  0.00    +0.192 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -1.801  -1.744  -1.192  0.00  0.00    +0.154 C 
BRANCH  17  18
ATOM     18  O   LIG    1       -2.915  -2.419  -1.790  0.00  0.00    -0.388 OA
ATOM     19  H   LIG    1       -3.672  -2.204  -1.204  0.00  0.00    +0.210 HD
ENDBRANCH  17  18
BRANCH  17  20
ATOM     20  C   LIG    1       -2.291  -0.424  -0.556  0.00  0.00    +0.118 C 
BRANCH  20  21
ATOM     21  N   LIG    1       -3.497  -0.641   0.282  0.00  0.00    -0.295 NA
ATOM     22  C   LIG    1       -4.145   0.662   0.552  0.00  0.00    +0.120 C 
ATOM     23  C   LIG    1       -5.300   0.578   1.527  0.00  0.00    -0.030 A 
ATOM     24  C   LIG    1       -5.413  -0.502   2.420  0.00  0.00    -0.042 A 
ATOM     25  C   LIG    1       -6.473  -0.542   3.335  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1       -7.402   0.496   3.383  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -7.282   1.579   2.514  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -4.432  -1.642   2.345  0.00  0.00    +0.051 C 
ATOM     29  C   LIG    1       -6.236   1.621   1.592  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1       -3.158  -1.277   1.569  0.00  0.00    +0.089 C 
ENDBRANCH  20  21
ENDBRANCH  17  20
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 8