REMARK  Name = BDB021540
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.334   0.927  -0.381  0.00  0.00    +0.123 A 
ATOM      2  C   LIG    1        3.752  -0.289  -0.016  0.00  0.00    +0.069 A 
ATOM      3  C   LIG    1        2.348  -0.483   0.036  0.00  0.00    +0.045 A 
ATOM      4  N   LIG    1        1.907  -1.764   0.412  0.00  0.00    -0.331 N 
ATOM      5  C   LIG    1        0.601  -1.965   1.069  0.00  0.00    +0.123 C 
ATOM      6  C   LIG    1        0.074  -0.739   1.816  0.00  0.00    +0.127 C 
ATOM      7  N   LIG    1       -0.589   0.176   0.894  0.00  0.00    -0.293 N 
ATOM      8  C   LIG    1        0.058   0.644  -0.248  0.00  0.00    +0.249 C 
ATOM      9  O   LIG    1       -0.552   1.148  -1.192  0.00  0.00    -0.270 OA
ATOM     10  C   LIG    1        2.194  -2.775  -0.622  0.00  0.00    +0.129 C 
ATOM     11  C   LIG    1        1.541   0.624  -0.285  0.00  0.00    +0.058 A 
ATOM     12  C   LIG    1        2.127   1.838  -0.695  0.00  0.00    +0.018 A 
ATOM     13  C   LIG    1        3.512   1.984  -0.744  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1  14
ATOM     14  O   LIG    1        5.673   1.195  -0.440  0.00  0.00    -0.487 OA
BRANCH  14  18
ATOM     15  C   LIG    1       10.171   1.028  -0.085  0.00  0.00    +0.105 C 
ATOM     16  N   LIG    1        8.954   0.250   0.109  0.00  0.00    -0.302 NA
ATOM     17  C   LIG    1        7.841   1.071   0.606  0.00  0.00    +0.128 C 
ATOM     18  C   LIG    1        6.568   0.294   0.222  0.00  0.00    +0.189 C 
ATOM     19  C   LIG    1        7.062  -0.786  -0.746  0.00  0.00    +0.061 C 
ATOM     20  C   LIG    1        8.457  -0.328  -1.143  0.00  0.00    +0.088 C 
ENDBRANCH  14  18
ENDBRANCH   1  14
BRANCH   7  21
ATOM     21  C   LIG    1       -2.041   0.346   0.999  0.00  0.00    +0.140 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -2.848  -0.817   0.382  0.00  0.00    +0.146 C 
BRANCH  22  23
ATOM     23  O   LIG    1       -2.491  -1.043  -0.988  0.00  0.00    -0.389 OA
ATOM     24  H   LIG    1       -2.229  -0.170  -1.355  0.00  0.00    +0.210 HD
ENDBRANCH  22  23
BRANCH  22  25
ATOM     25  C   LIG    1       -4.369  -0.576   0.526  0.00  0.00    +0.117 C 
BRANCH  25  26
ATOM     26  N   LIG    1       -4.827   0.633  -0.188  0.00  0.00    -0.295 NA
ATOM     27  C   LIG    1       -5.858   1.378   0.551  0.00  0.00    +0.120 C 
ATOM     28  C   LIG    1       -7.245   0.773   0.507  0.00  0.00    -0.030 A 
ATOM     29  C   LIG    1       -7.629  -0.069  -0.554  0.00  0.00    -0.042 A 
ATOM     30  C   LIG    1       -8.939  -0.573  -0.600  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1       -9.870  -0.214   0.383  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -9.495   0.633   1.423  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -6.627  -0.463  -1.613  0.00  0.00    +0.051 C 
ATOM     34  C   LIG    1       -8.189   1.126   1.484  0.00  0.00    +0.005 A 
ATOM     35  C   LIG    1       -5.315   0.347  -1.550  0.00  0.00    +0.089 C 
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH  21  22
ENDBRANCH   7  21
TORSDOF 7