REMARK  Name = BDB018103
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.979  -0.619  -1.975  0.00  0.00    +0.063 C 
ATOM      2  C   LIG    1       -2.434  -1.758  -1.105  0.00  0.00    +0.030 C 
ATOM      3  C   LIG    1       -1.625  -1.263   0.093  0.00  0.00    +0.108 C 
ATOM      4  N   LIG    1       -0.683  -0.211  -0.280  0.00  0.00    -0.301 N 
ATOM      5  C   LIG    1        0.608  -0.248   0.244  0.00  0.00    +0.216 C 
ATOM      6  O   LIG    1        0.973  -1.141   1.008  0.00  0.00    -0.276 OA
ATOM      7  C   LIG    1       -1.192   0.896  -1.092  0.00  0.00    +0.108 C 
ATOM      8  C   LIG    1       -2.680   0.772  -1.412  0.00  0.00    +0.030 C 
ENDROOT
BRANCH   1   9
ATOM      9  C   LIG    1       -4.435  -0.824  -2.387  0.00  0.00    +0.168 C 
ATOM     10  O   LIG    1       -4.702  -1.259  -3.508  0.00  0.00    -0.292 OA
BRANCH   9  15
ATOM     11  C   LIG    1       -7.803   0.109  -0.000  0.00  0.00    +0.217 A 
ATOM     12  C   LIG    1       -6.625  -0.201   0.678  0.00  0.00    +0.012 A 
ATOM     13  C   LIG    1       -6.568  -0.209   2.176  0.00  0.00    +0.049 C 
ATOM     14  C   LIG    1       -5.493  -0.518  -0.088  0.00  0.00    +0.021 A 
ATOM     15  C   LIG    1       -5.568  -0.506  -1.480  0.00  0.00    +0.036 A 
ATOM     16  C   LIG    1       -6.797  -0.199  -2.052  0.00  0.00    +0.126 A 
ATOM     17  N   LIG    1       -7.909   0.117  -1.346  0.00  0.00    -0.220 NA
BRANCH  11  19
ATOM     18  C   LIG    1      -10.072   0.696  -0.006  0.00  0.00    +0.279 C 
ATOM     19  O   LIG    1       -8.908   0.421   0.767  0.00  0.00    -0.479 OA
ENDBRANCH  11  19
ENDBRANCH   9  15
ENDBRANCH   1   9
BRANCH   5  20
ATOM     20  C   LIG    1        1.551   0.876  -0.193  0.00  0.00    +0.102 C 
BRANCH  20  21
ATOM     21  C   LIG    1        3.015   0.810   0.335  0.00  0.00    -0.020 C 
ATOM     22  C   LIG    1        3.035   0.894   1.874  0.00  0.00    +0.012 C 
ATOM     23  C   LIG    1        3.744   2.064  -0.206  0.00  0.00    +0.012 C 
BRANCH  21  24
ATOM     24  C   LIG    1        3.717  -0.462  -0.214  0.00  0.00    +0.081 C 
BRANCH  24  25
ATOM     25  C   LIG    1        5.094  -0.720   0.363  0.00  0.00    +0.113 A 
ATOM     26  N   LIG    1        5.112  -1.500   1.512  0.00  0.00    -0.310 N 
ATOM     27  H   LIG    1        4.252  -1.859   1.903  0.00  0.00    +0.170 HD
ATOM     28  C   LIG    1        6.266  -1.836   2.196  0.00  0.00    +0.262 A 
ATOM     29  O   LIG    1        6.266  -2.521   3.211  0.00  0.00    -0.267 OA
ATOM     30  C   LIG    1        7.439  -1.292   1.583  0.00  0.00    +0.103 A 
ATOM     31  C   LIG    1        8.810  -1.325   1.855  0.00  0.00    +0.150 A 
ATOM     32  N   LIG    1        9.517  -0.633   0.951  0.00  0.00    -0.177 NA
ATOM     33  N   LIG    1        8.572  -0.161   0.098  0.00  0.00    -0.249 N 
ATOM     34  C   LIG    1        8.973   0.646  -1.027  0.00  0.00    +0.174 C 
ATOM     35  C   LIG    1        7.303  -0.535   0.444  0.00  0.00    +0.165 A 
ATOM     36  N   LIG    1        6.155  -0.219  -0.205  0.00  0.00    -0.215 NA
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  20  21
ENDBRANCH   5  20
TORSDOF 7