REMARK  Name = BDB062475
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.024   0.104  -1.212  0.00  0.00    -0.295 NA
ATOM      2  C   LIG    1        1.153  -0.078  -2.161  0.00  0.00    +0.107 C 
ATOM      3  C   LIG    1        2.062   1.187  -2.295  0.00  0.00    +0.088 C 
ATOM      4  N   LIG    1        2.622   1.516  -0.967  0.00  0.00    -0.320 N 
ATOM      5  C   LIG    1        1.439   1.974  -0.209  0.00  0.00    +0.088 C 
ATOM      6  C   LIG    1        0.801   2.963  -1.205  0.00  0.00    +0.025 C 
ATOM      7  C   LIG    1        1.215   2.440  -2.589  0.00  0.00    +0.025 C 
ATOM      8  C   LIG    1        0.491   0.756   0.043  0.00  0.00    +0.107 C 
ENDROOT
BRANCH   4   9
ATOM      9  C   LIG    1        3.661   0.808  -0.395  0.00  0.00    +0.049 A 
ATOM     10  C   LIG    1        4.588   0.067  -1.143  0.00  0.00    +0.134 A 
ATOM     11  N   LIG    1        5.635  -0.647  -0.652  0.00  0.00    -0.249 NA
ATOM     12  C   LIG    1        5.801  -0.606   0.694  0.00  0.00    +0.125 A 
ATOM     13  C   LIG    1        4.978   0.115   1.542  0.00  0.00    +0.035 A 
ATOM     14  C   LIG    1        3.913   0.827   0.983  0.00  0.00    +0.027 A 
BRANCH  12  15
ATOM     15  C   LIG    1        6.955  -1.385   1.250  0.00  0.00    +0.262 C 
ATOM     16  N   LIG    1        7.687  -2.066   0.301  0.00  0.00    -0.313 N 
ATOM     17  H   LIG    1        7.432  -1.885  -0.667  0.00  0.00    +0.149 HD
ATOM     18  C   LIG    1        8.908  -2.755   0.618  0.00  0.00    +0.128 C 
ATOM     19  O   LIG    1        7.207  -1.391   2.450  0.00  0.00    -0.269 OA
ENDBRANCH  12  15
ENDBRANCH   4   9
BRANCH   1  20
ATOM     20  C   LIG    1       -0.654  -1.174  -0.955  0.00  0.00    +0.121 C 
BRANCH  20  30
ATOM     21  C   LIG    1       -6.612   0.101   1.351  0.00  0.00    +0.019 A 
ATOM     22  C   LIG    1       -6.419   0.886   0.086  0.00  0.00    +0.252 A 
ATOM     23  O   LIG    1       -7.292   1.626  -0.357  0.00  0.00    -0.268 OA
ATOM     24  N   LIG    1       -5.217   0.745  -0.559  0.00  0.00    -0.321 N 
ATOM     25  H   LIG    1       -5.104   1.279  -1.410  0.00  0.00    +0.169 HD
ATOM     26  C   LIG    1       -4.186  -0.073  -0.086  0.00  0.00    +0.068 A 
ATOM     27  C   LIG    1       -4.354  -0.793   1.094  0.00  0.00    +0.088 A 
ATOM     28  N   LIG    1       -3.411  -1.602   1.622  0.00  0.00    -0.253 NA
ATOM     29  C   LIG    1       -2.247  -1.691   0.936  0.00  0.00    +0.116 A 
ATOM     30  C   LIG    1       -1.976  -1.008  -0.250  0.00  0.00    -0.013 A 
ATOM     31  C   LIG    1       -2.983  -0.184  -0.770  0.00  0.00    +0.034 A 
ATOM     32  C   LIG    1       -5.617  -0.678   1.815  0.00  0.00    +0.038 A 
BRANCH  21  34
ATOM     33  C   LIG    1       -9.040  -0.543   1.413  0.00  0.00    +0.009 C 
ATOM     34  C   LIG    1       -7.925   0.260   2.067  0.00  0.00    +0.037 C 
ENDBRANCH  21  34
ENDBRANCH  20  30
ENDBRANCH   1  20
TORSDOF 5