REMARK  Name = BDB003966
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.329  -0.472   1.241  0.00  0.00    +0.123 A 
ATOM      2  C   LIG    1        0.032  -0.206   0.776  0.00  0.00    +0.070 A 
ATOM      3  C   LIG    1       -1.139  -0.463   1.526  0.00  0.00    +0.051 A 
ATOM      4  C   LIG    1       -0.927  -1.056   2.794  0.00  0.00    +0.073 A 
ATOM      5  C   LIG    1        0.376  -1.322   3.267  0.00  0.00    +0.024 A 
ATOM      6  C   LIG    1        1.499  -1.028   2.498  0.00  0.00    +0.047 A 
ENDROOT
BRANCH   3   7
ATOM      7  N   LIG    1       -2.385  -0.167   0.988  0.00  0.00    -0.328 N 
ATOM      8  C   LIG    1       -2.560   0.323  -0.389  0.00  0.00    +0.121 C 
ATOM      9  C   LIG    1       -4.093   0.460  -0.565  0.00  0.00    +0.064 C 
ATOM     10  C   LIG    1       -4.369   1.518  -1.625  0.00  0.00    +0.227 C 
ATOM     11  O   LIG    1       -3.540   1.846  -2.471  0.00  0.00    -0.275 OA
ATOM     12  N   LIG    1       -5.608   2.114  -1.629  0.00  0.00    -0.256 N 
ATOM     13  H   LIG    1       -5.597   2.919  -2.248  0.00  0.00    +0.157 HD
ATOM     14  C   LIG    1       -6.804   1.478  -1.846  0.00  0.00    +0.219 C 
ATOM     15  O   LIG    1       -7.668   2.042  -2.518  0.00  0.00    -0.275 OA
ATOM     16  C   LIG    1       -7.032   0.101  -1.274  0.00  0.00    +0.096 C 
ATOM     17  C   LIG    1       -5.992  -0.896  -1.747  0.00  0.00    +0.010 C 
ATOM     18  C   LIG    1       -4.718  -0.911  -0.905  0.00  0.00    +0.018 C 
ATOM     19  C   LIG    1       -4.464   0.964   0.842  0.00  0.00    +0.036 C 
ATOM     20  C   LIG    1       -3.560   0.175   1.792  0.00  0.00    +0.106 C 
ENDBRANCH   3   7
BRANCH   4  21
ATOM     21  C   LIG    1       -1.995  -1.464   3.663  0.00  0.00    +0.101 C 
ATOM     22  N   LIG    1       -2.833  -1.794   4.397  0.00  0.00    -0.191 NA
ENDBRANCH   4  21
BRANCH   1  23
ATOM     23  O   LIG    1        2.326  -0.138   0.367  0.00  0.00    -0.481 OA
BRANCH  23  24
ATOM     24  C   LIG    1        3.665  -0.394   0.774  0.00  0.00    +0.349 C 
BRANCH  24  25
ATOM     25  C   LIG    1        4.650   0.025  -0.309  0.00  0.00    +0.346 C 
ATOM     26  O   LIG    1        4.359   0.517  -1.389  0.00  0.00    -0.247 OA
BRANCH  25  27
ATOM     27  O   LIG    1        5.917  -0.239   0.126  0.00  0.00    -0.457 OA
BRANCH  27  29
ATOM     28  C   LIG    1        7.042  -0.758  -2.005  0.00  0.00    +0.055 C 
ATOM     29  C   LIG    1        7.066   0.061  -0.710  0.00  0.00    +0.105 C 
ATOM     30  C   LIG    1        8.279  -0.377   0.126  0.00  0.00    +0.055 C 
ATOM     31  C   LIG    1        7.177   1.565  -0.983  0.00  0.00    +0.055 C 
ENDBRANCH  27  29
ENDBRANCH  25  27
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH   1  23
TORSDOF 7