REMARK  Name = BDB063858
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.473   0.211   2.406  0.00  0.00    +0.041 C 
ATOM      2  C   LIG    1        1.187   0.517   2.197  0.00  0.00    +0.130 C 
ATOM      3  C   LIG    1        0.218   0.639   3.321  0.00  0.00    +0.269 C 
ATOM      4  O   LIG    1        0.411   0.523   4.514  0.00  0.00    -0.268 OA
ATOM      5  N   LIG    1       -0.937   0.937   2.675  0.00  0.00    -0.253 N 
ATOM      6  H   LIG    1       -1.786   1.183   3.148  0.00  0.00    +0.158 HD
ATOM      7  C   LIG    1       -0.689   1.025   1.352  0.00  0.00    +0.188 C 
ATOM      8  N   LIG    1        0.542   0.792   1.009  0.00  0.00    -0.213 NA
ENDROOT
BRANCH   1  14
ATOM      9  C   LIG    1        6.962  -0.715  -2.504  0.00  0.00    +0.149 C 
ATOM     10  N   LIG    1        6.807  -0.258  -1.141  0.00  0.00    -0.350 N 
ATOM     11  C   LIG    1        5.614  -0.223  -0.450  0.00  0.00    +0.049 A 
ATOM     12  C   LIG    1        5.897   0.281   0.821  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1        4.844   0.426   1.748  0.00  0.00    +0.018 A 
ATOM     14  C   LIG    1        3.530   0.079   1.389  0.00  0.00    -0.022 A 
ATOM     15  C   LIG    1        3.288  -0.437   0.112  0.00  0.00    +0.010 A 
ATOM     16  C   LIG    1        7.293   0.544   0.870  0.00  0.00    +0.027 A 
ATOM     17  C   LIG    1        4.315  -0.591  -0.828  0.00  0.00    +0.027 A 
ATOM     18  C   LIG    1        7.828   0.203  -0.352  0.00  0.00    +0.086 A 
ENDBRANCH   1  14
BRANCH   7  19
ATOM     19  N   LIG    1       -1.649   1.370   0.451  0.00  0.00    -0.311 N 
ATOM     20  H   LIG    1       -1.169   1.518  -0.437  0.00  0.00    +0.149 HD
BRANCH  19  21
ATOM     21  C   LIG    1       -2.876   0.598   0.210  0.00  0.00    +0.035 C 
ATOM     22  C   LIG    1       -2.547  -0.878  -0.113  0.00  0.00    +0.029 C 
ATOM     23  C   LIG    1       -3.837  -1.653  -0.441  0.00  0.00    -0.008 C 
ATOM     24  C   LIG    1       -4.517  -1.012  -1.663  0.00  0.00    +0.007 C 
ATOM     25  C   LIG    1       -4.871   0.453  -1.361  0.00  0.00    -0.008 C 
ATOM     26  C   LIG    1       -5.821   0.513  -0.156  0.00  0.00    +0.007 C 
ATOM     27  C   LIG    1       -5.148  -0.117   1.072  0.00  0.00    -0.008 C 
ATOM     28  C   LIG    1       -4.794  -1.583   0.761  0.00  0.00    +0.007 C 
ATOM     29  C   LIG    1       -3.584   1.222  -1.023  0.00  0.00    +0.029 C 
ATOM     30  C   LIG    1       -3.855   0.652   1.403  0.00  0.00    +0.029 C 
ENDBRANCH  19  21
ENDBRANCH   7  19
TORSDOF 3