REMARK  Name = BDB013119
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.712  -0.936  -0.420  0.00  0.00    +0.046 A 
ATOM      2  C   LIG    1       -0.254  -1.946  -0.156  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1       -1.355  -1.993  -0.977  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1       -2.070  -3.079  -0.566  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1       -1.493  -3.620   0.483  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -1.577  -1.081  -2.013  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1       -0.678  -0.170  -2.271  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1       -0.344  -2.904   0.742  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        0.438  -0.114  -1.458  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1        4.194  -0.319   1.976  0.00  0.00    +0.130 A 
ATOM     11  N   LIG    1        2.994  -0.514   2.551  0.00  0.00    -0.239 NA
ATOM     12  C   LIG    1        1.911  -0.726   1.762  0.00  0.00    +0.121 A 
ATOM     13  C   LIG    1        1.940  -0.722   0.373  0.00  0.00    +0.005 A 
ATOM     14  C   LIG    1        3.190  -0.527  -0.214  0.00  0.00    +0.013 A 
ATOM     15  C   LIG    1        4.320  -0.326   0.587  0.00  0.00    +0.045 A 
BRANCH  10  18
ATOM     16  O   LIG    1        4.414  -0.427   4.955  0.00  0.00    -0.226 OA
ATOM     17  C   LIG    1        5.323  -0.188   4.178  0.00  0.00    +0.408 C 
ATOM     18  N   LIG    1        5.315  -0.100   2.797  0.00  0.00    -0.218 N 
ATOM     19  C   LIG    1        6.645   0.073   2.315  0.00  0.00    +0.159 C 
ATOM     20  C   LIG    1        7.396   0.495   3.550  0.00  0.00    +0.253 C 
ATOM     21  O   LIG    1        6.603   0.030   4.638  0.00  0.00    -0.448 OA
ENDBRANCH  10  18
ENDBRANCH   1  13
BRANCH   6  22
ATOM     22  N   LIG    1       -2.718  -1.144  -2.782  0.00  0.00    -0.310 N 
ATOM     23  H   LIG    1       -2.586  -0.515  -3.575  0.00  0.00    +0.149 HD
BRANCH  22  24
ATOM     24  C   LIG    1       -4.030  -0.871  -2.196  0.00  0.00    +0.140 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -4.315   0.607  -2.192  0.00  0.00    -0.024 A 
ATOM     26  C   LIG    1       -4.055   1.415  -1.089  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1       -3.567   1.070   0.268  0.00  0.00    +0.080 C 
ATOM     28  C   LIG    1       -3.248   2.473   0.783  0.00  0.00    +0.234 C 
ATOM     29  O   LIG    1       -4.039   3.432   0.046  0.00  0.00    -0.491 OA
ATOM     30  C   LIG    1       -4.327   2.777  -1.124  0.00  0.00    +0.124 A 
ATOM     31  C   LIG    1       -4.859   3.396  -2.236  0.00  0.00    +0.046 A 
ATOM     32  C   LIG    1       -5.110   2.611  -3.359  0.00  0.00    +0.004 A 
ATOM     33  C   LIG    1       -4.837   1.232  -3.340  0.00  0.00    +0.005 A 
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH   6  22
TORSDOF 5