REMARK  Name = BDB045768
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.946  -0.213   0.099  0.00  0.00    -0.299 N 
ATOM      2  H   LIG    1       -2.514   0.149  -0.659  0.00  0.00    +0.154 HD
ENDROOT
BRANCH   1   8
ATOM      3  C   LIG    1       -5.885   0.308   1.745  0.00  0.00    +0.162 A 
ATOM      4  C   LIG    1       -6.511  -0.838   2.230  0.00  0.00    +0.161 A 
ATOM      5  C   LIG    1       -5.874  -2.074   2.220  0.00  0.00    +0.077 A 
ATOM      6  C   LIG    1       -4.589  -2.211   1.717  0.00  0.00    +0.080 A 
ATOM      7  C   LIG    1       -3.941  -1.077   1.202  0.00  0.00    +0.044 A 
ATOM      8  C   LIG    1       -2.643  -1.300   0.697  0.00  0.00    +0.134 A 
ATOM      9  N   LIG    1       -2.062  -2.512   0.736  0.00  0.00    -0.220 NA
ATOM     10  C   LIG    1       -2.778  -3.509   1.260  0.00  0.00    +0.223 A 
ATOM     11  N   LIG    1       -4.021  -3.418   1.744  0.00  0.00    -0.235 NA
ATOM     12  C   LIG    1       -4.598   0.186   1.229  0.00  0.00    +0.062 A 
BRANCH   3  14
ATOM     13  C   LIG    1       -5.982   2.663   1.430  0.00  0.00    +0.277 C 
ATOM     14  O   LIG    1       -6.623   1.458   1.830  0.00  0.00    -0.491 OA
ENDBRANCH   3  14
BRANCH   4  15
ATOM     15  O   LIG    1       -7.778  -0.767   2.741  0.00  0.00    -0.503 OA
ATOM     16  H   LIG    1       -8.036   0.172   2.668  0.00  0.00    +0.292 HD
ENDBRANCH   4  15
ENDBRANCH   1   8
BRANCH   1  17
ATOM     17  C   LIG    1       -0.569  -0.125  -0.205  0.00  0.00    +0.032 A 
ATOM     18  C   LIG    1        0.416  -0.776   0.543  0.00  0.00    +0.025 A 
ATOM     19  C   LIG    1        1.780  -0.607   0.261  0.00  0.00    +0.025 A 
ATOM     20  C   LIG    1        2.190   0.240  -0.766  0.00  0.00    +0.034 A 
ATOM     21  C   LIG    1        1.215   0.928  -1.494  0.00  0.00    +0.025 A 
ATOM     22  C   LIG    1       -0.145   0.757  -1.208  0.00  0.00    +0.025 A 
BRANCH  20  23
ATOM     23  N   LIG    1        3.538   0.470  -1.111  0.00  0.00    -0.282 N 
ATOM     24  H   LIG    1        3.690   1.106  -1.883  0.00  0.00    +0.155 HD
ATOM     25  C   LIG    1        4.657  -0.147  -0.581  0.00  0.00    +0.248 C 
ATOM     26  O   LIG    1        4.680  -1.053   0.243  0.00  0.00    -0.270 OA
BRANCH  25  27
ATOM     27  C   LIG    1        5.955   0.343  -1.125  0.00  0.00    +0.037 A 
ATOM     28  C   LIG    1        6.992  -0.579  -1.312  0.00  0.00    +0.013 A 
ATOM     29  C   LIG    1        8.221  -0.156  -1.821  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1        8.420   1.188  -2.135  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        7.396   2.114  -1.932  0.00  0.00    +0.001 A 
ATOM     32  C   LIG    1        6.165   1.696  -1.424  0.00  0.00    +0.013 A 
ENDBRANCH  25  27
ENDBRANCH  20  23
ENDBRANCH   1  17
TORSDOF 6