REMARK  Name = BDB019046
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.087  -2.193   0.627  0.00  0.00    +0.132 A 
ATOM      2  C   LIG    1       -1.365  -1.276  -0.127  0.00  0.00    +0.089 A 
ATOM      3  N   LIG    1       -0.123  -1.862  -0.313  0.00  0.00    -0.270 N 
ATOM      4  C   LIG    1        0.929  -1.247  -1.015  0.00  0.00    +0.202 A 
ATOM      5  N   LIG    1        0.737  -0.094  -1.596  0.00  0.00    -0.223 NA
ATOM      6  C   LIG    1       -0.492   0.505  -1.424  0.00  0.00    +0.125 A 
ATOM      7  C   LIG    1       -0.173  -3.107   0.251  0.00  0.00    +0.207 A 
ATOM      8  C   LIG    1       -1.537   0.009  -0.722  0.00  0.00    +0.030 A 
ATOM      9  N   LIG    1       -1.322  -3.332   0.844  0.00  0.00    -0.232 NA
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1       -2.733   0.862  -0.671  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1       -2.964   1.827   0.303  0.00  0.00    +0.050 A 
ATOM     12  C   LIG    1       -2.024   2.020   1.458  0.00  0.00    +0.066 C 
ATOM     13  N   LIG    1       -4.040   2.651   0.273  0.00  0.00    -0.237 NA
ATOM     14  C   LIG    1       -4.910   2.494  -0.745  0.00  0.00    +0.126 A 
ATOM     15  C   LIG    1       -6.127   3.363  -0.753  0.00  0.00    +0.088 C 
ATOM     16  N   LIG    1       -4.781   1.591  -1.733  0.00  0.00    -0.240 NA
ATOM     17  C   LIG    1       -3.694   0.794  -1.665  0.00  0.00    +0.123 A 
ENDBRANCH   8  10
BRANCH   1  19
ATOM     18  C   LIG    1       -3.976  -3.290   1.912  0.00  0.00    +0.093 C 
ATOM     19  C   LIG    1       -3.450  -2.096   1.153  0.00  0.00    +0.180 C 
ATOM     20  O   LIG    1       -4.155  -1.100   1.003  0.00  0.00    -0.291 OA
ENDBRANCH   1  19
BRANCH   4  21
ATOM     21  N   LIG    1        2.168  -1.845  -1.129  0.00  0.00    -0.310 N 
ATOM     22  H   LIG    1        2.685  -1.307  -1.823  0.00  0.00    +0.149 HD
BRANCH  21  23
ATOM     23  C   LIG    1        3.016  -2.008   0.052  0.00  0.00    +0.143 C 
BRANCH  23  24
ATOM     24  C   LIG    1        3.469  -0.682   0.593  0.00  0.00    +0.012 A 
ATOM     25  C   LIG    1        4.535   0.030   0.052  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1        5.402  -0.270  -1.113  0.00  0.00    +0.080 C 
ATOM     27  C   LIG    1        6.486   0.786  -0.898  0.00  0.00    +0.234 C 
ATOM     28  O   LIG    1        5.947   1.857  -0.092  0.00  0.00    -0.491 OA
ATOM     29  C   LIG    1        4.890   1.275   0.558  0.00  0.00    +0.124 A 
ATOM     30  C   LIG    1        4.214   1.868   1.606  0.00  0.00    +0.049 A 
ATOM     31  C   LIG    1        3.146   1.171   2.167  0.00  0.00    +0.042 A 
ATOM     32  C   LIG    1        2.785  -0.085   1.661  0.00  0.00    +0.129 A 
ATOM     33  F   LIG    1        1.743  -0.722   2.215  0.00  0.00    -0.205 F 
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   4  21
TORSDOF 5