REMARK  Name = BDB047012
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.168   1.438  -0.525  0.00  0.00    -0.294 N 
ATOM      2  C   LIG    1        1.015   1.883   0.117  0.00  0.00    +0.220 C 
ATOM      3  O   LIG    1        1.024   2.426   1.223  0.00  0.00    -0.275 OA
ATOM      4  C   LIG    1       -0.293   1.690  -0.640  0.00  0.00    +0.089 C 
ATOM      5  C   LIG    1       -0.049   2.038  -2.110  0.00  0.00    +0.015 C 
ATOM      6  C   LIG    1        1.061   1.210  -2.751  0.00  0.00    +0.020 C 
ATOM      7  C   LIG    1        2.078   0.659  -1.754  0.00  0.00    +0.108 C 
ENDROOT
BRANCH   1   9
ATOM      8  C   LIG    1        4.497   2.275  -0.489  0.00  0.00    +0.033 C 
ATOM      9  C   LIG    1        3.437   1.432   0.230  0.00  0.00    +0.103 C 
BRANCH   9  10
ATOM     10  C   LIG    1        3.853   0.011   0.598  0.00  0.00    -0.027 A 
ATOM     11  C   LIG    1        3.094  -0.684   1.558  0.00  0.00    +0.005 A 
ATOM     12  C   LIG    1        3.416  -1.992   1.921  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1        4.501  -2.631   1.329  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1        5.263  -1.961   0.373  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1        4.941  -0.651   0.008  0.00  0.00    +0.005 A 
ENDBRANCH   9  10
ENDBRANCH   1   9
BRANCH   4  16
ATOM     16  C   LIG    1       -0.908   0.293  -0.457  0.00  0.00    +0.094 C 
BRANCH  16  17
ATOM     17  N   LIG    1       -1.252   0.021   0.941  0.00  0.00    -0.310 NA
ATOM     18  H   LIG    1       -1.852   0.757   1.311  0.00  0.00    +0.122 HD
BRANCH  17  19
ATOM     19  C   LIG    1       -1.888  -1.290   1.118  0.00  0.00    +0.136 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.312  -1.370   0.603  0.00  0.00    +0.056 A 
ATOM     21  N   LIG    1       -3.512  -1.956  -0.606  0.00  0.00    -0.259 NA
ATOM     22  C   LIG    1       -4.775  -2.010  -1.081  0.00  0.00    +0.112 A 
ATOM     23  C   LIG    1       -5.869  -1.498  -0.411  0.00  0.00    +0.034 A 
ATOM     24  C   LIG    1       -5.649  -0.891   0.823  0.00  0.00    +0.062 A 
ATOM     25  C   LIG    1       -4.355  -0.822   1.341  0.00  0.00    +0.039 A 
BRANCH  24  26
ATOM     26  C   LIG    1       -6.753  -0.308   1.617  0.00  0.00    +0.337 C 
ATOM     27  O   LIG    1       -6.639   0.236   2.699  0.00  0.00    -0.245 OA
BRANCH  26  28
ATOM     28  O   LIG    1       -7.950  -0.433   1.017  0.00  0.00    -0.477 OA
ATOM     29  H   LIG    1       -8.574  -0.011   1.645  0.00  0.00    +0.295 HD
ENDBRANCH  26  28
ENDBRANCH  24  26
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH  16  17
ENDBRANCH   4  16
TORSDOF 8