REMARK  Name = BDB062135
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.768  -1.865  -0.722  0.00  0.00    +0.076 A 
ATOM      2  N   LIG    1       -0.997  -3.209  -0.940  0.00  0.00    -0.333 N 
ATOM      3  C   LIG    1       -2.274  -3.867  -1.078  0.00  0.00    +0.150 C 
ATOM      4  C   LIG    1        0.207  -3.856  -0.943  0.00  0.00    +0.200 A 
ATOM      5  N   LIG    1        1.200  -3.030  -0.718  0.00  0.00    -0.235 NA
ATOM      6  C   LIG    1        0.615  -1.796  -0.574  0.00  0.00    +0.097 A 
ENDROOT
BRANCH   6   7
ATOM      7  C   LIG    1        1.381  -0.595  -0.275  0.00  0.00    +0.008 A 
ATOM      8  C   LIG    1        1.898  -0.406   1.027  0.00  0.00    -0.041 A 
ATOM      9  C   LIG    1        1.745  -1.451   2.101  0.00  0.00    +0.044 C 
ATOM     10  C   LIG    1        2.592   0.777   1.328  0.00  0.00    +0.009 A 
ATOM     11  C   LIG    1        2.787   1.772   0.362  0.00  0.00    -0.033 A 
ATOM     12  C   LIG    1        2.287   1.565  -0.929  0.00  0.00    +0.009 A 
ATOM     13  C   LIG    1        1.603   0.384  -1.268  0.00  0.00    -0.041 A 
ATOM     14  C   LIG    1        1.107   0.225  -2.681  0.00  0.00    +0.044 C 
BRANCH  11  15
ATOM     15  C   LIG    1        3.515   3.047   0.709  0.00  0.00    +0.113 C 
BRANCH  15  16
ATOM     16  N   LIG    1        4.862   2.782   1.202  0.00  0.00    -0.326 NA
ATOM     17  H   LIG    1        5.362   2.233   0.504  0.00  0.00    +0.119 HD
ATOM     18  H   LIG    1        5.365   3.663   1.289  0.00  0.00    +0.119 HD
ENDBRANCH  15  16
ENDBRANCH  11  15
ENDBRANCH   6   7
BRANCH   1  23
ATOM     19  C   LIG    1       -2.852   0.992   0.599  0.00  0.00    +0.138 A 
ATOM     20  C   LIG    1       -3.745   1.186  -0.466  0.00  0.00    +0.093 A 
ATOM     21  C   LIG    1       -3.655   0.383  -1.611  0.00  0.00    +0.023 A 
ATOM     22  C   LIG    1       -2.683  -0.616  -1.697  0.00  0.00    +0.011 A 
ATOM     23  C   LIG    1       -1.800  -0.833  -0.635  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1       -1.895  -0.026   0.509  0.00  0.00    +0.057 A 
BRANCH  19  26
ATOM     25  C   LIG    1       -1.938   1.837   2.634  0.00  0.00    +0.277 C 
ATOM     26  O   LIG    1       -2.996   1.822   1.680  0.00  0.00    -0.494 OA
ENDBRANCH  19  26
BRANCH  20  27
ATOM     27  C   LIG    1       -4.753   2.207  -0.417  0.00  0.00    +0.103 C 
ATOM     28  N   LIG    1       -5.585   3.018  -0.424  0.00  0.00    -0.191 NA
ENDBRANCH  20  27
ENDBRANCH   1  23
TORSDOF 6