REMARK  Name = BDB047902
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.306   2.139  -1.129  0.00  0.00    -0.030 A 
ATOM      2  C   LIG    1        0.014   2.276   0.230  0.00  0.00    +0.006 A 
ATOM      3  C   LIG    1        1.263   1.874   0.713  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1        2.211   1.331  -0.163  0.00  0.00    +0.017 A 
ATOM      5  C   LIG    1        1.887   1.170  -1.515  0.00  0.00    +0.012 A 
ATOM      6  C   LIG    1        0.637   1.572  -1.995  0.00  0.00    +0.006 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        3.552   0.890   0.307  0.00  0.00    +0.141 A 
ATOM      8  N   LIG    1        4.080   1.553   1.393  0.00  0.00    -0.306 N 
ATOM      9  H   LIG    1        3.607   2.338   1.813  0.00  0.00    +0.170 HD
ATOM     10  C   LIG    1        5.317   1.279   1.921  0.00  0.00    +0.259 A 
ATOM     11  O   LIG    1        5.775   1.914   2.863  0.00  0.00    -0.267 OA
ATOM     12  C   LIG    1        6.055   0.183   1.275  0.00  0.00    +0.065 A 
ATOM     13  C   LIG    1        5.449  -0.441   0.183  0.00  0.00    +0.078 A 
ATOM     14  C   LIG    1        6.130  -1.483  -0.451  0.00  0.00    +0.028 A 
ATOM     15  C   LIG    1        7.390  -1.888   0.001  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1        7.983  -1.253   1.093  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1        7.315  -0.211   1.736  0.00  0.00    +0.015 A 
ATOM     18  N   LIG    1        4.186  -0.062  -0.302  0.00  0.00    -0.229 NA
ENDBRANCH   4   7
BRANCH   1  19
ATOM     19  C   LIG    1       -1.667   2.549  -1.634  0.00  0.00    +0.142 C 
BRANCH  19  22
ATOM     20  O   LIG    1       -3.543   2.294   0.508  0.00  0.00    -0.226 OA
ATOM     21  C   LIG    1       -3.440   1.434  -0.352  0.00  0.00    +0.401 C 
ATOM     22  N   LIG    1       -2.627   1.495  -1.440  0.00  0.00    -0.277 N 
ATOM     23  H   LIG    1       -2.560   0.646  -1.983  0.00  0.00    +0.152 HD
BRANCH  21  24
ATOM     24  O   LIG    1       -4.110   0.260  -0.371  0.00  0.00    -0.446 OA
BRANCH  24  25
ATOM     25  C   LIG    1       -4.990   0.085   0.741  0.00  0.00    +0.269 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -5.651  -1.262   0.601  0.00  0.00    -0.010 A 
ATOM     27  C   LIG    1       -6.901  -1.382  -0.023  0.00  0.00    +0.007 A 
ATOM     28  C   LIG    1       -7.503  -2.634  -0.166  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -6.859  -3.776   0.306  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -5.611  -3.670   0.916  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -5.007  -2.420   1.060  0.00  0.00    +0.007 A 
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  19  22
ENDBRANCH   1  19
TORSDOF 6