REMARK  Name = BDB020178
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.468  -1.535  -0.238  0.00  0.00    +0.040 A 
ATOM      2  C   LIG    1       -1.172  -2.587   0.354  0.00  0.00    +0.058 A 
ATOM      3  C   LIG    1       -2.557  -2.514   0.508  0.00  0.00    +0.122 A 
ATOM      4  C   LIG    1       -3.242  -1.380   0.062  0.00  0.00    +0.051 A 
ATOM      5  C   LIG    1       -2.553  -0.314  -0.545  0.00  0.00    -0.024 A 
ATOM      6  C   LIG    1       -1.162  -0.416  -0.709  0.00  0.00    +0.018 A 
ENDROOT
BRANCH   1   9
ATOM      7  N   LIG    1        1.702  -0.465  -0.315  0.00  0.00    -0.303 N 
ATOM      8  H   LIG    1        1.251   0.418  -0.104  0.00  0.00    +0.150 HD
ATOM      9  C   LIG    1        1.008  -1.645  -0.372  0.00  0.00    +0.245 C 
ATOM     10  O   LIG    1        1.540  -2.741  -0.503  0.00  0.00    -0.270 OA
BRANCH   7  11
ATOM     11  C   LIG    1        3.143  -0.381  -0.469  0.00  0.00    +0.125 C 
BRANCH  11  15
ATOM     12  C   LIG    1        6.850   1.837   2.140  0.00  0.00    +0.044 C 
ATOM     13  C   LIG    1        5.470   1.860   1.556  0.00  0.00    -0.047 A 
ATOM     14  C   LIG    1        4.984   0.766   0.835  0.00  0.00    +0.028 A 
ATOM     15  C   LIG    1        3.682   0.803   0.330  0.00  0.00    +0.062 A 
ATOM     16  N   LIG    1        2.855   1.871   0.526  0.00  0.00    -0.258 NA
ATOM     17  C   LIG    1        3.344   2.907   1.239  0.00  0.00    +0.111 A 
ATOM     18  C   LIG    1        4.622   2.946   1.770  0.00  0.00    +0.023 A 
ENDBRANCH  11  15
BRANCH  11  19
ATOM     19  C   LIG    1        3.452  -0.322  -1.950  0.00  0.00    +0.015 C 
ATOM     20  C   LIG    1        4.436   0.624  -2.608  0.00  0.00    +0.006 C 
ATOM     21  C   LIG    1        2.960   0.817  -2.817  0.00  0.00    +0.006 C 
ENDBRANCH  11  19
ENDBRANCH   7  11
ENDBRANCH   1   9
BRANCH   3  22
ATOM     22  O   LIG    1       -3.118  -3.606   1.111  0.00  0.00    -0.492 OA
BRANCH  22  23
ATOM     23  C   LIG    1       -4.536  -3.619   1.264  0.00  0.00    +0.232 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -4.916  -4.901   1.941  0.00  0.00    +0.027 C 
ATOM     25  C   LIG    1       -6.286  -5.498   1.746  0.00  0.00    +0.007 C 
ATOM     26  C   LIG    1       -5.082  -6.169   1.143  0.00  0.00    +0.007 C 
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH   3  22
BRANCH   5  27
ATOM     27  C   LIG    1       -3.314   0.896  -1.052  0.00  0.00    +0.160 C 
BRANCH  27  28
ATOM     28  N   LIG    1       -2.666   2.143  -0.694  0.00  0.00    -0.313 N 
ATOM     29  C   LIG    1       -1.804   2.880  -1.518  0.00  0.00    +0.204 A 
ATOM     30  N   LIG    1       -1.473   2.692  -2.745  0.00  0.00    -0.268 NA
ATOM     31  H   LIG    1       -1.959   1.879  -3.120  0.00  0.00    +0.190 HD
ATOM     32  N   LIG    1       -1.323   3.897  -0.688  0.00  0.00    -0.320 N 
ATOM     33  C   LIG    1       -0.246   4.776  -1.074  0.00  0.00    +0.152 C 
ATOM     34  C   LIG    1       -1.826   3.741   0.593  0.00  0.00    +0.106 A 
ATOM     35  C   LIG    1       -2.649   2.684   0.590  0.00  0.00    +0.107 A 
ENDBRANCH  27  28
ENDBRANCH   5  27
TORSDOF 9