REMARK  Name = BDB013092
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.590   1.322   0.627  0.00  0.00    +0.046 A 
ATOM      2  C   LIG    1       -0.026   0.075   0.926  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1       -1.378  -0.027   0.705  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1       -1.725  -1.274   1.130  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1       -0.654  -1.924   1.526  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -2.147   1.015   0.180  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1       -1.585   2.163  -0.085  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        0.421  -1.070   1.399  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1       -0.227   2.283   0.137  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1        4.358   0.968   0.531  0.00  0.00    +0.055 A 
ATOM     11  C   LIG    1        3.000   0.687   0.355  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1        2.033   1.602   0.793  0.00  0.00    +0.006 A 
ATOM     13  C   LIG    1        2.497   2.763   1.415  0.00  0.00    +0.119 A 
ATOM     14  N   LIG    1        3.804   3.069   1.595  0.00  0.00    -0.262 NA
ATOM     15  C   LIG    1        4.706   2.160   1.149  0.00  0.00    +0.124 A 
BRANCH  10  19
ATOM     16  C   LIG    1        7.740  -1.862   0.893  0.00  0.00    +0.039 C 
ATOM     17  C   LIG    1        7.287  -1.002  -0.290  0.00  0.00    +0.094 C 
ATOM     18  N   LIG    1        6.692   0.241   0.242  0.00  0.00    -0.241 NA
ATOM     19  C   LIG    1        5.418   0.056   0.091  0.00  0.00    +0.220 C 
ATOM     20  O   LIG    1        4.977  -1.060  -0.537  0.00  0.00    -0.474 OA
ATOM     21  C   LIG    1        6.153  -1.659  -1.068  0.00  0.00    +0.260 C 
ATOM     22  C   LIG    1        8.472  -0.655  -1.185  0.00  0.00    +0.039 C 
ENDBRANCH  10  19
ENDBRANCH   1  12
BRANCH   6  23
ATOM     23  N   LIG    1       -3.497   0.855  -0.042  0.00  0.00    -0.310 N 
ATOM     24  H   LIG    1       -3.893   1.783  -0.199  0.00  0.00    +0.149 HD
BRANCH  23  25
ATOM     25  C   LIG    1       -3.941  -0.002  -1.138  0.00  0.00    +0.140 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -5.431   0.128  -1.302  0.00  0.00    -0.024 A 
ATOM     27  C   LIG    1       -6.326  -0.471  -0.421  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1       -6.079  -1.356   0.743  0.00  0.00    +0.080 C 
ATOM     29  C   LIG    1       -7.477  -1.351   1.361  0.00  0.00    +0.234 C 
ATOM     30  O   LIG    1       -8.442  -1.010   0.341  0.00  0.00    -0.491 OA
ATOM     31  C   LIG    1       -7.698  -0.343  -0.597  0.00  0.00    +0.124 A 
ATOM     32  C   LIG    1       -8.241   0.381  -1.637  0.00  0.00    +0.046 A 
ATOM     33  C   LIG    1       -7.365   1.010  -2.520  0.00  0.00    +0.004 A 
ATOM     34  C   LIG    1       -5.974   0.889  -2.353  0.00  0.00    +0.005 A 
ENDBRANCH  25  26
ENDBRANCH  23  25
ENDBRANCH   6  23
TORSDOF 5