REMARK  Name = BDB018275
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.802   2.447  -0.155  0.00  0.00    +0.060 A 
ATOM      2  C   LIG    1       -0.348   2.538  -0.455  0.00  0.00    +0.025 A 
ATOM      3  C   LIG    1        0.246   3.749  -0.389  0.00  0.00    +0.099 A 
ATOM      4  N   LIG    1       -0.442   4.915  -0.117  0.00  0.00    -0.318 N 
ATOM      5  C   LIG    1        0.282   6.176  -0.125  0.00  0.00    +0.152 C 
ATOM      6  C   LIG    1       -1.819   4.933   0.018  0.00  0.00    +0.253 A 
ATOM      7  O   LIG    1       -2.504   5.941   0.159  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1       -2.478   3.606   0.011  0.00  0.00    +0.097 A 
ENDROOT
BRANCH   1  11
ATOM      9  C   LIG    1       -2.947  -0.993   0.419  0.00  0.00    +0.054 A 
ATOM     10  C   LIG    1       -1.963  -0.018   0.396  0.00  0.00    +0.104 A 
ATOM     11  N   LIG    1       -2.488   1.207  -0.001  0.00  0.00    -0.321 N 
ATOM     12  C   LIG    1       -3.851   0.994  -0.162  0.00  0.00    +0.092 A 
ATOM     13  C   LIG    1       -4.149  -0.329   0.067  0.00  0.00    +0.032 A 
BRANCH   9  17
ATOM     14  C   LIG    1       -1.246  -4.247   1.192  0.00  0.00    +0.128 C 
ATOM     15  N   LIG    1       -1.525  -2.861   0.926  0.00  0.00    -0.314 N 
ATOM     16  H   LIG    1       -0.764  -2.277   0.605  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1       -2.817  -2.407   0.772  0.00  0.00    +0.245 C 
ATOM     18  O   LIG    1       -3.799  -3.129   0.907  0.00  0.00    -0.270 OA
ENDBRANCH   9  17
ENDBRANCH   1  11
BRANCH   2  19
ATOM     19  C   LIG    1        0.426   1.432  -0.940  0.00  0.00    +0.023 A 
ATOM     20  C   LIG    1        1.631   0.989  -0.439  0.00  0.00    +0.117 A 
ATOM     21  N   LIG    1        2.001  -0.068  -1.225  0.00  0.00    -0.267 N 
ATOM     22  N   LIG    1        1.123  -0.326  -2.218  0.00  0.00    -0.179 NA
ATOM     23  C   LIG    1        0.166   0.590  -2.042  0.00  0.00    +0.143 A 
BRANCH  21  24
ATOM     24  C   LIG    1        3.231  -0.841  -1.119  0.00  0.00    +0.178 C 
BRANCH  24  25
ATOM     25  C   LIG    1        3.058  -2.037  -0.218  0.00  0.00    -0.026 A 
ATOM     26  C   LIG    1        3.452  -1.987   1.127  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1        3.299  -3.103   1.950  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        2.751  -4.279   1.439  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        2.346  -4.337   0.108  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        2.492  -3.220  -0.716  0.00  0.00    +0.005 A 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH   2  19
TORSDOF 5