REMARK  Name = BDB018099
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.908  -1.505   0.212  0.00  0.00    +0.063 C 
ATOM      2  C   LIG    1        3.042  -0.292   0.580  0.00  0.00    +0.030 C 
ATOM      3  C   LIG    1        1.555  -0.627   0.619  0.00  0.00    +0.108 C 
ATOM      4  N   LIG    1        1.079  -1.184  -0.646  0.00  0.00    -0.301 N 
ATOM      5  C   LIG    1       -0.242  -1.121  -1.092  0.00  0.00    +0.216 C 
ATOM      6  O   LIG    1       -0.573  -1.578  -2.184  0.00  0.00    -0.276 OA
ATOM      7  C   LIG    1        2.060  -1.875  -1.486  0.00  0.00    +0.108 C 
ATOM      8  C   LIG    1        3.147  -2.533  -0.643  0.00  0.00    +0.030 C 
ENDROOT
BRANCH   1   9
ATOM      9  C   LIG    1        5.167  -1.018  -0.511  0.00  0.00    +0.169 C 
ATOM     10  O   LIG    1        5.215  -0.989  -1.740  0.00  0.00    -0.292 OA
BRANCH   9  14
ATOM     11  N   LIG    1        8.261   0.253   0.865  0.00  0.00    -0.271 N 
ATOM     12  N   LIG    1        7.655   0.010   2.042  0.00  0.00    -0.179 NA
ATOM     13  C   LIG    1        6.465  -0.481   1.688  0.00  0.00    +0.145 A 
ATOM     14  C   LIG    1        6.296  -0.556   0.287  0.00  0.00    +0.055 A 
ATOM     15  C   LIG    1        7.490  -0.070  -0.212  0.00  0.00    +0.119 A 
BRANCH  11  17
ATOM     16  C   LIG    1        9.611   2.310   0.986  0.00  0.00    +0.029 C 
ATOM     17  C   LIG    1        9.604   0.799   0.840  0.00  0.00    +0.140 C 
ENDBRANCH  11  17
ENDBRANCH   9  14
ENDBRANCH   1   9
BRANCH   5  18
ATOM     18  C   LIG    1       -1.245  -0.454  -0.148  0.00  0.00    +0.102 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.758  -0.505  -0.520  0.00  0.00    -0.020 C 
ATOM     20  C   LIG    1       -3.236  -1.962  -0.652  0.00  0.00    +0.012 C 
ATOM     21  C   LIG    1       -3.020   0.254  -1.835  0.00  0.00    +0.012 C 
BRANCH  19  22
ATOM     22  C   LIG    1       -3.511   0.201   0.650  0.00  0.00    +0.081 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -5.012   0.342   0.481  0.00  0.00    +0.113 A 
ATOM     24  N   LIG    1       -5.767  -0.729   0.930  0.00  0.00    -0.310 N 
ATOM     25  H   LIG    1       -5.331  -1.542   1.335  0.00  0.00    +0.170 HD
ATOM     26  C   LIG    1       -7.146  -0.780   0.859  0.00  0.00    +0.261 A 
ATOM     27  O   LIG    1       -7.791  -1.739   1.268  0.00  0.00    -0.267 OA
ATOM     28  C   LIG    1       -7.718   0.400   0.265  0.00  0.00    +0.083 A 
ATOM     29  C   LIG    1       -9.039   0.808  -0.023  0.00  0.00    +0.034 A 
ATOM     30  C   LIG    1       -8.953   2.057  -0.607  0.00  0.00    +0.088 A 
ATOM     31  N   LIG    1       -7.624   2.406  -0.677  0.00  0.00    -0.335 N 
ATOM     32  C   LIG    1       -7.105   3.635  -1.229  0.00  0.00    +0.150 C 
ATOM     33  C   LIG    1       -6.863   1.402  -0.143  0.00  0.00    +0.148 A 
ATOM     34  N   LIG    1       -5.510   1.421  -0.052  0.00  0.00    -0.216 NA
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH  18  19
ENDBRANCH   5  18
TORSDOF 7