REMARK  Name = BDB018745
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.387   1.758  -0.184  0.00  0.00    -0.016 A 
ATOM      2  C   LIG    1        0.434   0.618  -0.231  0.00  0.00    +0.014 A 
ATOM      3  C   LIG    1        0.629  -0.181   0.904  0.00  0.00    -0.025 A 
ATOM      4  C   LIG    1        1.577  -1.352   0.882  0.00  0.00    +0.054 C 
ATOM      5  C   LIG    1        1.151  -2.440   1.876  0.00  0.00    +0.069 C 
ATOM      6  C   LIG    1       -0.129  -3.169   1.425  0.00  0.00    +0.132 C 
ATOM      7  N   LIG    1        0.096  -4.622   1.694  0.00  0.00    -0.268 N 
ATOM      8  C   LIG    1        1.396  -4.777   2.390  0.00  0.00    +0.117 C 
ATOM      9  C   LIG    1        0.905  -1.799   3.243  0.00  0.00    +0.225 C 
ATOM     10  N   LIG    1        0.223  -0.609   3.244  0.00  0.00    -0.285 N 
ATOM     11  H   LIG    1       -0.058  -0.262   4.153  0.00  0.00    +0.155 HD
ATOM     12  O   LIG    1        1.214  -2.332   4.306  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1        2.193  -3.559   1.949  0.00  0.00    +0.037 C 
ATOM     14  C   LIG    1        0.008   0.169   2.104  0.00  0.00    +0.037 A 
ATOM     15  C   LIG    1       -0.794   1.304   2.181  0.00  0.00    +0.024 A 
ATOM     16  C   LIG    1       -0.994   2.087   1.041  0.00  0.00    +0.010 A 
ENDROOT
BRANCH   1  20
ATOM     17  C   LIG    1       -1.002   4.079  -3.666  0.00  0.00    +0.214 A 
ATOM     18  N   LIG    1       -1.222   2.750  -3.733  0.00  0.00    -0.221 NA
ATOM     19  C   LIG    1       -1.016   2.045  -2.593  0.00  0.00    +0.123 A 
ATOM     20  C   LIG    1       -0.595   2.590  -1.378  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1       -0.383   3.974  -1.362  0.00  0.00    +0.015 A 
ATOM     22  C   LIG    1       -0.587   4.729  -2.516  0.00  0.00    +0.068 A 
BRANCH  17  24
ATOM     23  C   LIG    1       -1.623   4.132  -5.920  0.00  0.00    +0.279 C 
ATOM     24  O   LIG    1       -1.189   4.869  -4.782  0.00  0.00    -0.480 OA
ENDBRANCH  17  24
ENDBRANCH   1  20
BRANCH   7  25
ATOM     25  C   LIG    1       -0.890  -5.526   1.754  0.00  0.00    +0.169 C 
ATOM     26  N   LIG    1       -1.748  -6.302   1.804  0.00  0.00    -0.174 NA
ENDBRANCH   7  25
TORSDOF 3