REMARK  Name = BDB046654
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.789   0.464   0.477  0.00  0.00    +0.030 A 
ATOM      2  C   LIG    1        0.195   1.441   0.668  0.00  0.00    +0.024 A 
ATOM      3  C   LIG    1        1.557   1.111   0.661  0.00  0.00    +0.013 A 
ATOM      4  C   LIG    1        1.983  -0.210   0.476  0.00  0.00    +0.017 A 
ATOM      5  C   LIG    1        1.008  -1.194   0.289  0.00  0.00    +0.013 A 
ATOM      6  C   LIG    1       -0.352  -0.857   0.292  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        3.419  -0.506   0.484  0.00  0.00    +0.139 A 
ATOM      8  N   LIG    1        3.956  -1.765   0.621  0.00  0.00    -0.338 N 
ATOM      9  H   LIG    1        3.429  -2.615   0.741  0.00  0.00    +0.167 HD
ATOM     10  C   LIG    1        5.325  -1.673   0.593  0.00  0.00    +0.067 A 
ATOM     11  C   LIG    1        5.579  -0.310   0.463  0.00  0.00    +0.102 A 
ATOM     12  C   LIG    1        6.917   0.120   0.408  0.00  0.00    +0.064 A 
ATOM     13  C   LIG    1        7.947  -0.837   0.484  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1        7.650  -2.196   0.615  0.00  0.00    +0.003 A 
ATOM     15  C   LIG    1        6.327  -2.644   0.674  0.00  0.00    +0.028 A 
ATOM     16  N   LIG    1        4.391   0.382   0.383  0.00  0.00    -0.227 NA
BRANCH  12  17
ATOM     17  C   LIG    1        7.241   1.555   0.290  0.00  0.00    +0.244 C 
ATOM     18  O   LIG    1        6.692   2.422   0.954  0.00  0.00    -0.270 OA
ATOM     19  N   LIG    1        8.223   1.873  -0.611  0.00  0.00    -0.325 N 
ATOM     20  H   LIG    1        8.335   2.863  -0.794  0.00  0.00    +0.145 HD
ATOM     21  H   LIG    1        8.481   1.230  -1.347  0.00  0.00    +0.145 HD
ENDBRANCH  12  17
ENDBRANCH   4   7
BRANCH   1  22
ATOM     22  N   LIG    1       -2.171   0.734   0.474  0.00  0.00    -0.329 N 
ATOM     23  C   LIG    1       -2.602   1.949   1.172  0.00  0.00    +0.129 C 
BRANCH  22  24
ATOM     24  C   LIG    1       -2.780   0.537  -0.858  0.00  0.00    +0.139 C 
BRANCH  24  28
ATOM     25  C   LIG    1       -7.019  -0.338  -0.616  0.00  0.00    +0.120 A 
ATOM     26  C   LIG    1       -6.558   0.683  -1.448  0.00  0.00    +0.046 A 
ATOM     27  C   LIG    1       -5.189   0.970  -1.520  0.00  0.00    +0.009 A 
ATOM     28  C   LIG    1       -4.263   0.244  -0.757  0.00  0.00    -0.030 A 
ATOM     29  C   LIG    1       -4.734  -0.785   0.069  0.00  0.00    +0.009 A 
ATOM     30  C   LIG    1       -6.100  -1.068   0.140  0.00  0.00    +0.046 A 
BRANCH  25  32
ATOM     31  C   LIG    1       -9.299   0.006  -1.192  0.00  0.00    +0.277 C 
ATOM     32  O   LIG    1       -8.323  -0.718  -0.454  0.00  0.00    -0.495 OA
ENDBRANCH  25  32
ENDBRANCH  24  28
ENDBRANCH  22  24
ENDBRANCH   1  22
TORSDOF 6