REMARK  Name = BDB003131
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.952   0.146  -1.535  0.00  0.00    +0.163 C 
ATOM      2  N   LIG    1       -0.949   0.148  -0.708  0.00  0.00    -0.059 NA
ENDROOT
BRANCH   1   6
ATOM      3  C   LIG    1       -5.918   0.155   0.158  0.00  0.00    +0.120 A 
ATOM      4  C   LIG    1       -5.718   0.524  -1.175  0.00  0.00    +0.046 A 
ATOM      5  C   LIG    1       -4.436   0.529  -1.733  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1       -3.335   0.156  -0.955  0.00  0.00    +0.018 A 
ATOM      7  C   LIG    1       -3.533  -0.205   0.383  0.00  0.00    +0.015 A 
ATOM      8  C   LIG    1       -4.819  -0.208   0.937  0.00  0.00    +0.046 A 
BRANCH   3  10
ATOM      9  C   LIG    1       -7.472  -0.140   1.931  0.00  0.00    +0.277 C 
ATOM     10  O   LIG    1       -7.221   0.194   0.572  0.00  0.00    -0.495 OA
ENDBRANCH   3  10
ENDBRANCH   1   6
BRANCH   1  11
ATOM     11  N   LIG    1       -1.802   0.119  -2.905  0.00  0.00    -0.340 N 
ATOM     12  H   LIG    1       -0.859  -0.130  -3.180  0.00  0.00    +0.144 HD
ATOM     13  H   LIG    1       -2.497  -0.427  -3.404  0.00  0.00    +0.144 HD
ENDBRANCH   1  11
BRANCH   2  14
ATOM     14  O   LIG    1        0.285   0.149  -1.385  0.00  0.00    -0.315 OA
BRANCH  14  15
ATOM     15  C   LIG    1        1.323   0.125  -0.474  0.00  0.00    +0.340 C 
ATOM     16  O   LIG    1        1.225   0.055   0.744  0.00  0.00    -0.248 OA
BRANCH  15  17
ATOM     17  C   LIG    1        2.616   0.197  -1.259  0.00  0.00    +0.158 C 
BRANCH  17  18
ATOM     18  C   LIG    1        3.867   0.150  -0.415  0.00  0.00    -0.037 A 
ATOM     19  C   LIG    1        4.411   1.327   0.115  0.00  0.00    +0.004 A 
ATOM     20  C   LIG    1        5.566   1.284   0.900  0.00  0.00    +0.003 A 
ATOM     21  C   LIG    1        6.187   0.063   1.183  0.00  0.00    -0.050 A 
ATOM     22  C   LIG    1        7.441   0.020   2.004  0.00  0.00    +0.044 C 
ATOM     23  C   LIG    1        5.647  -1.113   0.651  0.00  0.00    +0.003 A 
ATOM     24  C   LIG    1        4.492  -1.071  -0.134  0.00  0.00    +0.004 A 
ENDBRANCH  17  18
ENDBRANCH  15  17
ENDBRANCH  14  15
ENDBRANCH   2  14
TORSDOF 7