REMARK  Name = BDB019094
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.224  -0.490   0.088  0.00  0.00    +0.202 A 
ATOM      2  N   LIG    1        0.827   0.010  -1.079  0.00  0.00    -0.271 N 
ATOM      3  C   LIG    1        2.190   0.147  -1.220  0.00  0.00    +0.078 A 
ATOM      4  C   LIG    1        2.375   0.670  -2.479  0.00  0.00    +0.139 A 
ATOM      5  N   LIG    1        1.170   0.842  -3.117  0.00  0.00    -0.243 NA
ATOM      6  C   LIG    1        2.994  -0.270  -0.127  0.00  0.00    +0.026 A 
ATOM      7  C   LIG    1        2.339  -0.765   0.949  0.00  0.00    +0.125 A 
ATOM      8  C   LIG    1        0.266   0.408  -2.264  0.00  0.00    +0.206 A 
ATOM      9  N   LIG    1        0.969  -0.894   1.083  0.00  0.00    -0.223 NA
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1        4.466  -0.184  -0.083  0.00  0.00    -0.012 A 
ATOM     11  C   LIG    1        5.100   1.059  -0.142  0.00  0.00    +0.028 A 
ATOM     12  C   LIG    1        6.484   1.095  -0.105  0.00  0.00    +0.111 A 
ATOM     13  N   LIG    1        7.261  -0.004  -0.018  0.00  0.00    -0.263 NA
ATOM     14  C   LIG    1        6.628  -1.195   0.030  0.00  0.00    +0.111 A 
ATOM     15  C   LIG    1        5.251  -1.337   0.001  0.00  0.00    +0.028 A 
ENDBRANCH   6  10
BRANCH   1  16
ATOM     16  N   LIG    1       -1.147  -0.578   0.189  0.00  0.00    -0.310 N 
ATOM     17  H   LIG    1       -1.350  -1.191   0.978  0.00  0.00    +0.149 HD
BRANCH  16  18
ATOM     18  C   LIG    1       -1.913   0.651   0.370  0.00  0.00    +0.140 C 
BRANCH  18  25
ATOM     19  C   LIG    1       -5.125  -0.297   2.221  0.00  0.00    +0.004 A 
ATOM     20  C   LIG    1       -6.077  -0.392   1.205  0.00  0.00    +0.047 A 
ATOM     21  C   LIG    1       -5.631  -0.137  -0.088  0.00  0.00    +0.135 A 
ATOM     22  C   LIG    1       -4.322   0.202  -0.417  0.00  0.00    +0.025 A 
ATOM     23  C   LIG    1       -4.319   0.360  -1.832  0.00  0.00    +0.050 A 
ATOM     24  C   LIG    1       -5.604   0.114  -2.259  0.00  0.00    +0.196 A 
ATOM     25  C   LIG    1       -3.360   0.307   0.616  0.00  0.00    -0.020 A 
ATOM     26  O   LIG    1       -6.406  -0.186  -1.206  0.00  0.00    -0.463 OA
ATOM     27  C   LIG    1       -3.799   0.040   1.936  0.00  0.00    +0.006 A 
ENDBRANCH  18  25
ENDBRANCH  16  18
ENDBRANCH   1  16
TORSDOF 4