REMARK  Name = BDB061309
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.009   0.381   2.373  0.00  0.00    +0.184 C 
ENDROOT
BRANCH   1   5
ATOM      2  N   LIG    1       -2.014   1.049   0.463  0.00  0.00    -0.193 N 
ATOM      3  C   LIG    1       -1.336   0.425   1.495  0.00  0.00    +0.316 C 
ATOM      4  O   LIG    1       -1.723  -0.440   2.268  0.00  0.00    -0.252 OA
ATOM      5  N   LIG    1       -0.042   0.920   1.533  0.00  0.00    -0.269 N 
ATOM      6  C   LIG    1        0.230   1.793   0.431  0.00  0.00    +0.206 C 
ATOM      7  C   LIG    1       -1.140   1.884  -0.209  0.00  0.00    +0.245 C 
ATOM      8  O   LIG    1       -1.343   2.614  -1.173  0.00  0.00    -0.273 OA
BRANCH   2  14
ATOM      9  C   LIG    1       -7.582   0.233  -0.919  0.00  0.00    +0.044 C 
ATOM     10  C   LIG    1       -6.142   0.430  -0.535  0.00  0.00    -0.047 A 
ATOM     11  C   LIG    1       -5.612  -0.107   0.648  0.00  0.00    -0.046 A 
ATOM     12  C   LIG    1       -6.468  -0.900   1.599  0.00  0.00    +0.044 C 
ATOM     13  C   LIG    1       -4.253   0.109   0.961  0.00  0.00    +0.027 A 
ATOM     14  C   LIG    1       -3.390   0.841   0.127  0.00  0.00    +0.046 A 
ATOM     15  C   LIG    1       -3.950   1.362  -1.047  0.00  0.00    +0.024 A 
ATOM     16  C   LIG    1       -5.298   1.161  -1.374  0.00  0.00    +0.005 A 
ENDBRANCH   2  14
ENDBRANCH   1   5
BRANCH   1  17
ATOM     17  C   LIG    1        1.723  -0.696   1.644  0.00  0.00    +0.123 A 
ATOM     18  O   LIG    1        2.851  -0.334   0.970  0.00  0.00    -0.458 OA
ATOM     19  C   LIG    1        3.347  -1.453   0.360  0.00  0.00    +0.135 A 
ATOM     20  C   LIG    1        2.528  -2.528   0.649  0.00  0.00    +0.050 A 
ATOM     21  C   LIG    1        1.484  -2.042   1.472  0.00  0.00    +0.047 A 
BRANCH  19  22
ATOM     22  C   LIG    1        4.568  -1.276  -0.426  0.00  0.00    +0.018 A 
ATOM     23  C   LIG    1        5.182  -0.018  -0.542  0.00  0.00    +0.026 A 
ATOM     24  C   LIG    1        6.351   0.145  -1.299  0.00  0.00    +0.060 A 
ATOM     25  C   LIG    1        6.918  -0.957  -1.948  0.00  0.00    +0.015 A 
ATOM     26  C   LIG    1        6.320  -2.211  -1.842  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1        5.154  -2.367  -1.087  0.00  0.00    +0.011 A 
BRANCH  24  28
ATOM     28  C   LIG    1        7.021   1.460  -1.440  0.00  0.00    +0.337 C 
ATOM     29  O   LIG    1        8.041   1.676  -2.068  0.00  0.00    -0.245 OA
BRANCH  28  30
ATOM     30  O   LIG    1        6.381   2.448  -0.789  0.00  0.00    -0.477 OA
ATOM     31  H   LIG    1        6.928   3.240  -0.972  0.00  0.00    +0.295 HD
ENDBRANCH  28  30
ENDBRANCH  24  28
ENDBRANCH  19  22
ENDBRANCH   1  17
TORSDOF 6