REMARK  Name = BDB022370
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.357   1.536  -0.681  0.00  0.00    +0.042 A 
ATOM      2  C   LIG    1        0.061   1.375  -0.259  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1        0.787   2.491   0.201  0.00  0.00    +0.054 A 
ATOM      4  C   LIG    1        2.112   2.314   0.629  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1        2.725   1.058   0.585  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1        2.045  -0.051   0.092  0.00  0.00    +0.032 A 
ATOM      7  N   LIG    1        0.177   3.781   0.200  0.00  0.00    -0.311 N 
ATOM      8  C   LIG    1        0.921   4.945   0.653  0.00  0.00    +0.152 C 
ATOM      9  C   LIG    1       -1.108   3.976  -0.277  0.00  0.00    +0.253 A 
ATOM     10  O   LIG    1       -1.669   5.068  -0.348  0.00  0.00    -0.268 OA
ATOM     11  C   LIG    1        0.717   0.125  -0.324  0.00  0.00    +0.035 A 
ATOM     12  C   LIG    1       -1.856   2.779  -0.707  0.00  0.00    +0.093 A 
ENDROOT
BRANCH   1  13
ATOM     13  N   LIG    1       -2.080   0.400  -1.020  0.00  0.00    -0.338 N 
ATOM     14  H   LIG    1       -1.792  -0.443  -0.519  0.00  0.00    +0.146 HD
BRANCH  13  16
ATOM     15  C   LIG    1       -3.982  -1.135  -1.439  0.00  0.00    +0.138 C 
ATOM     16  C   LIG    1       -3.485   0.342  -1.318  0.00  0.00    +0.099 C 
ATOM     17  C   LIG    1       -4.386   0.465  -0.068  0.00  0.00    +0.027 C 
ATOM     18  C   LIG    1       -5.231  -0.691  -0.638  0.00  0.00    +0.035 C 
BRANCH  15  20
ATOM     19  C   LIG    1       -3.564  -3.479  -0.942  0.00  0.00    +0.194 C 
ATOM     20  O   LIG    1       -3.134  -2.132  -0.804  0.00  0.00    -0.378 OA
ENDBRANCH  15  20
ENDBRANCH  13  16
ENDBRANCH   1  13
BRANCH   6  21
ATOM     21  N   LIG    1        2.607  -1.341   0.042  0.00  0.00    -0.313 N 
ATOM     22  H   LIG    1        2.213  -1.912  -0.704  0.00  0.00    +0.152 HD
BRANCH  21  23
ATOM     23  C   LIG    1        3.644  -1.943   0.791  0.00  0.00    +0.053 A 
ATOM     24  C   LIG    1        4.465  -2.941   0.233  0.00  0.00    +0.110 A 
ATOM     25  C   LIG    1        5.492  -3.456   1.014  0.00  0.00    +0.148 A 
ATOM     26 CL   LIG    1        6.572  -4.681   0.463  0.00  0.00    -0.061 Cl
ATOM     27  N   LIG    1        5.761  -3.063   2.279  0.00  0.00    -0.242 NA
ATOM     28  C   LIG    1        4.967  -2.109   2.796  0.00  0.00    +0.114 A 
ATOM     29  C   LIG    1        3.919  -1.527   2.100  0.00  0.00    +0.044 A 
BRANCH  24  30
ATOM     30  C   LIG    1        4.252  -3.414  -1.097  0.00  0.00    +0.104 C 
ATOM     31  N   LIG    1        4.024  -3.778  -2.175  0.00  0.00    -0.191 NA
ENDBRANCH  24  30
ENDBRANCH  21  23
ENDBRANCH   6  21
TORSDOF 6