REMARK  Name = BDB041090
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.267  -0.790   0.311  0.00  0.00    +0.169 A 
ATOM      2  N   LIG    1       -3.811  -1.135   1.496  0.00  0.00    -0.224 NA
ATOM      3  C   LIG    1       -2.891  -1.380   2.451  0.00  0.00    +0.115 A 
ATOM      4  C   LIG    1       -1.530  -1.270   2.234  0.00  0.00    +0.192 A 
ATOM      5  O   LIG    1       -0.841  -1.562   3.374  0.00  0.00    -0.458 OA
ATOM      6  C   LIG    1       -1.773  -1.870   4.319  0.00  0.00    +0.198 A 
ATOM      7  C   LIG    1       -1.027  -0.895   0.995  0.00  0.00    +0.166 A 
ATOM      8  C   LIG    1       -3.046  -1.770   3.800  0.00  0.00    +0.069 A 
ATOM      9  N   LIG    1       -1.946  -0.647   0.030  0.00  0.00    -0.209 NA
ENDROOT
BRANCH   1  11
ATOM     10  C   LIG    1       -5.027  -1.434  -1.330  0.00  0.00    +0.229 A 
ATOM     11  C   LIG    1       -4.192  -0.479  -0.767  0.00  0.00    +0.102 A 
ATOM     12  C   LIG    1       -4.301   0.803  -1.308  0.00  0.00    +0.062 A 
ATOM     13  N   LIG    1       -5.165   1.074  -2.322  0.00  0.00    -0.239 NA
ATOM     14  C   LIG    1       -5.918   0.067  -2.778  0.00  0.00    +0.225 A 
ATOM     15  N   LIG    1       -5.897  -1.189  -2.331  0.00  0.00    -0.201 NA
BRANCH  12  16
ATOM     16  C   LIG    1       -3.462   1.966  -0.804  0.00  0.00    +0.039 C 
ATOM     17  C   LIG    1       -3.710   2.539   0.575  0.00  0.00    +0.010 C 
ATOM     18  C   LIG    1       -4.083   3.336  -0.638  0.00  0.00    +0.010 C 
ENDBRANCH  12  16
BRANCH  10  20
ATOM     19  C   LIG    1       -5.849  -3.636  -1.449  0.00  0.00    +0.279 C 
ATOM     20  O   LIG    1       -4.931  -2.729  -0.850  0.00  0.00    -0.479 OA
ENDBRANCH  10  20
ENDBRANCH   1  11
BRANCH   7  21
ATOM     21  N   LIG    1        0.337  -0.781   0.745  0.00  0.00    -0.322 N 
ATOM     22  H   LIG    1        0.881  -0.691   1.598  0.00  0.00    +0.148 HD
BRANCH  21  23
ATOM     23  C   LIG    1        0.708   0.118  -0.330  0.00  0.00    +0.138 C 
BRANCH  23  24
ATOM     24  C   LIG    1        2.212   0.261  -0.359  0.00  0.00    -0.030 A 
ATOM     25  C   LIG    1        2.832   1.432   0.091  0.00  0.00    +0.006 A 
ATOM     26  C   LIG    1        4.228   1.550   0.074  0.00  0.00    +0.010 A 
ATOM     27  C   LIG    1        5.048   0.506  -0.390  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        4.408  -0.670  -0.820  0.00  0.00    +0.010 A 
ATOM     29  C   LIG    1        3.015  -0.793  -0.807  0.00  0.00    +0.006 A 
BRANCH  27  30
ATOM     30  C   LIG    1        6.523   0.616  -0.419  0.00  0.00    +0.071 A 
ATOM     31  N   LIG    1        7.206  -0.542  -0.222  0.00  0.00    -0.255 NA
ATOM     32  C   LIG    1        8.556  -0.494  -0.237  0.00  0.00    +0.111 A 
ATOM     33  C   LIG    1        9.283   0.663  -0.447  0.00  0.00    +0.020 A 
ATOM     34  C   LIG    1        8.584   1.843  -0.658  0.00  0.00    +0.004 A 
ATOM     35  C   LIG    1        7.189   1.822  -0.646  0.00  0.00    +0.028 A 
ENDBRANCH  27  30
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   7  21
TORSDOF 7