REMARK  Name = BDB063826
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.665  -3.351  -2.419  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1        0.308  -2.324  -1.879  0.00  0.00    +0.269 C 
ATOM      3  C   LIG    1        1.109  -1.356  -1.080  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        2.417  -1.538  -0.858  0.00  0.00    +0.041 C 
ATOM      5  N   LIG    1        0.297  -0.317  -0.678  0.00  0.00    -0.213 NA
ATOM      6  C   LIG    1       -0.873  -0.607  -1.163  0.00  0.00    +0.188 C 
ATOM      7  N   LIG    1       -0.927  -1.764  -1.859  0.00  0.00    -0.253 N 
ATOM      8  H   LIG    1       -1.714  -2.149  -2.346  0.00  0.00    +0.158 HD
ENDROOT
BRANCH   4   9
ATOM      9  C   LIG    1        3.317  -0.650  -0.104  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1        4.661  -0.567  -0.514  0.00  0.00    +0.019 A 
ATOM     11  C   LIG    1        5.556   0.244   0.207  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1        5.098   0.939   1.319  0.00  0.00    +0.066 A 
ATOM     13  N   LIG    1        6.187   1.624   1.791  0.00  0.00    -0.277 N 
ATOM     14  H   LIG    1        6.228   2.240   2.594  0.00  0.00    +0.189 HD
ATOM     15  N   LIG    1        7.312   1.427   1.079  0.00  0.00    -0.181 NA
ATOM     16  C   LIG    1        3.777   0.869   1.765  0.00  0.00    +0.028 A 
ATOM     17  C   LIG    1        6.923   0.588   0.115  0.00  0.00    +0.142 A 
ATOM     18  C   LIG    1        2.901   0.056   1.034  0.00  0.00    +0.010 A 
ENDBRANCH   4   9
BRANCH   6  19
ATOM     19  N   LIG    1       -1.959   0.189  -0.990  0.00  0.00    -0.314 N 
ATOM     20  H   LIG    1       -1.756   0.957  -0.357  0.00  0.00    +0.149 HD
BRANCH  19  21
ATOM     21  C   LIG    1       -3.348  -0.243  -1.015  0.00  0.00    +0.073 C 
ATOM     22  C   LIG    1       -3.697  -1.018   0.262  0.00  0.00    +0.022 C 
ATOM     23  C   LIG    1       -3.775  -0.124   1.499  0.00  0.00    +0.002 C 
ATOM     24  C   LIG    1       -4.728   1.046   1.286  0.00  0.00    +0.000 C 
ATOM     25  C   LIG    1       -4.361   1.855   0.047  0.00  0.00    +0.002 C 
ATOM     26  C   LIG    1       -4.265   0.974  -1.200  0.00  0.00    +0.022 C 
ENDBRANCH  19  21
ENDBRANCH   6  19
TORSDOF 3