REMARK  Name = BDB018740
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.894  -0.495  -0.867  0.00  0.00    -0.016 A 
ATOM      2  C   LIG    1       -0.089   0.301  -0.253  0.00  0.00    +0.014 A 
ATOM      3  C   LIG    1       -1.433   0.223  -0.646  0.00  0.00    -0.025 A 
ATOM      4  C   LIG    1       -2.476   1.129  -0.048  0.00  0.00    +0.054 C 
ATOM      5  C   LIG    1       -3.861   0.472  -0.048  0.00  0.00    +0.069 C 
ATOM      6  C   LIG    1       -3.954  -0.686   0.964  0.00  0.00    +0.132 C 
ATOM      7  N   LIG    1       -5.283  -0.555   1.635  0.00  0.00    -0.268 N 
ATOM      8  C   LIG    1       -6.029   0.553   0.991  0.00  0.00    +0.117 C 
ATOM      9  C   LIG    1       -4.160  -0.065  -1.449  0.00  0.00    +0.225 C 
ATOM     10  N   LIG    1       -3.130  -0.709  -2.086  0.00  0.00    -0.285 N 
ATOM     11  H   LIG    1       -3.372  -1.183  -2.948  0.00  0.00    +0.155 HD
ATOM     12  O   LIG    1       -5.270  -0.010  -1.973  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1       -4.938   1.450   0.430  0.00  0.00    +0.037 C 
ATOM     14  C   LIG    1       -1.797  -0.650  -1.673  0.00  0.00    +0.037 A 
ATOM     15  C   LIG    1       -0.839  -1.434  -2.309  0.00  0.00    +0.024 A 
ATOM     16  C   LIG    1        0.495  -1.361  -1.900  0.00  0.00    +0.010 A 
ENDROOT
BRANCH   1  20
ATOM     17  C   LIG    1        4.940  -0.193   0.328  0.00  0.00    +0.125 A 
ATOM     18  N   LIG    1        4.282   0.947  -0.022  0.00  0.00    -0.250 NA
ATOM     19  C   LIG    1        2.989   0.799  -0.399  0.00  0.00    +0.120 A 
ATOM     20  C   LIG    1        2.301  -0.417  -0.450  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        3.025  -1.559  -0.082  0.00  0.00    +0.012 A 
ATOM     22  C   LIG    1        4.359  -1.453   0.312  0.00  0.00    +0.033 A 
BRANCH  17  26
ATOM     23  C   LIG    1        8.194   1.611   0.994  0.00  0.00    +0.128 C 
ATOM     24  N   LIG    1        6.819   1.268   0.750  0.00  0.00    -0.313 N 
ATOM     25  H   LIG    1        6.171   1.962   0.387  0.00  0.00    +0.149 HD
ATOM     26  C   LIG    1        6.372  -0.036   0.743  0.00  0.00    +0.262 C 
ATOM     27  O   LIG    1        7.065  -1.004   1.034  0.00  0.00    -0.269 OA
ENDBRANCH  17  26
ENDBRANCH   1  20
BRANCH   7  28
ATOM     28  C   LIG    1       -5.870  -1.546   2.319  0.00  0.00    +0.169 C 
ATOM     29  N   LIG    1       -6.370  -2.408   2.909  0.00  0.00    -0.174 NA
ENDBRANCH   7  28
TORSDOF 3