REMARK  Name = BDB002121
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.202   0.332  -0.887  0.00  0.00    +0.104 C 
ATOM      2  C   LIG    1       -0.283   1.825  -1.059  0.00  0.00    +0.210 C 
ATOM      3  O   LIG    1        0.676   2.507  -1.407  0.00  0.00    -0.285 OA
ATOM      4  C   LIG    1       -1.569   2.490  -0.807  0.00  0.00    +0.034 A 
ATOM      5  C   LIG    1       -2.705   1.748  -0.526  0.00  0.00    +0.034 A 
ATOM      6  C   LIG    1       -3.927   2.401  -0.299  0.00  0.00    +0.012 A 
ATOM      7  C   LIG    1       -4.003   3.794  -0.355  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -2.862   4.539  -0.639  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -2.647   0.279  -0.466  0.00  0.00    +0.210 C 
ATOM     10  O   LIG    1       -3.684  -0.346  -0.261  0.00  0.00    -0.285 OA
ATOM     11  C   LIG    1       -1.647   3.891  -0.867  0.00  0.00    +0.012 A 
ATOM     12  C   LIG    1       -1.312  -0.404  -0.631  0.00  0.00    +0.103 C 
ENDROOT
BRANCH  12  13
ATOM     13  N   LIG    1       -1.250  -1.817  -0.510  0.00  0.00    -0.321 N 
ATOM     14  C   LIG    1       -0.497  -2.454   0.600  0.00  0.00    +0.133 C 
ATOM     15  C   LIG    1       -1.451  -3.070   1.631  0.00  0.00    +0.178 C 
ATOM     16  O   LIG    1       -2.328  -4.024   1.016  0.00  0.00    -0.377 OA
ATOM     17  C   LIG    1       -3.145  -3.368   0.032  0.00  0.00    +0.178 C 
ATOM     18  C   LIG    1       -2.288  -2.719  -1.067  0.00  0.00    +0.133 C 
ENDBRANCH  12  13
BRANCH   1  19
ATOM     19  N   LIG    1        1.022  -0.290  -1.161  0.00  0.00    -0.310 N 
ATOM     20  H   LIG    1        0.868  -1.282  -1.350  0.00  0.00    +0.152 HD
BRANCH  19  24
ATOM     21  C   LIG    1        4.766   0.204   0.767  0.00  0.00    +0.059 A 
ATOM     22  C   LIG    1        3.682   0.990   1.166  0.00  0.00    +0.017 A 
ATOM     23  C   LIG    1        2.435   0.839   0.546  0.00  0.00    +0.024 A 
ATOM     24  C   LIG    1        2.242  -0.105  -0.469  0.00  0.00    +0.031 A 
ATOM     25  C   LIG    1        3.347  -0.872  -0.874  0.00  0.00    +0.024 A 
ATOM     26  C   LIG    1        4.595  -0.728  -0.260  0.00  0.00    +0.017 A 
BRANCH  21  28
ATOM     27  O   LIG    1        7.093  -0.319   1.096  0.00  0.00    -0.245 OA
ATOM     28  C   LIG    1        6.105   0.328   1.392  0.00  0.00    +0.337 C 
BRANCH  28  29
ATOM     29  O   LIG    1        6.144   1.254   2.366  0.00  0.00    -0.477 OA
ATOM     30  H   LIG    1        7.074   1.230   2.674  0.00  0.00    +0.295 HD
ENDBRANCH  28  29
ENDBRANCH  21  28
ENDBRANCH  19  24
ENDBRANCH   1  19
TORSDOF 5