REMARK  Name = BDB023004
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.265  -1.619   3.459  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1       -1.045  -2.448   2.186  0.00  0.00    +0.079 C 
ATOM      3  N   LIG    1       -1.074  -1.625   0.967  0.00  0.00    -0.277 N 
ATOM      4  C   LIG    1       -2.327  -1.285   0.460  0.00  0.00    +0.306 C 
ATOM      5  N   LIG    1       -2.316  -0.571  -0.732  0.00  0.00    -0.276 N 
ATOM      6  C   LIG    1       -3.532   0.206  -1.050  0.00  0.00    +0.122 C 
ATOM      7  C   LIG    1       -3.637   0.545  -2.568  0.00  0.00    +0.111 C 
ATOM      8  N   LIG    1       -3.533  -0.617  -3.483  0.00  0.00    -0.302 NA
ATOM      9  C   LIG    1       -4.849  -1.120  -3.870  0.00  0.00    +0.105 C 
ATOM     10  C   LIG    1       -2.710  -1.702  -2.906  0.00  0.00    +0.103 C 
ATOM     11  C   LIG    1       -1.665  -1.192  -1.895  0.00  0.00    +0.125 C 
ATOM     12  O   LIG    1       -3.373  -1.600   1.027  0.00  0.00    -0.252 OA
ATOM     13  C   LIG    1        0.052  -0.694   0.802  0.00  0.00    +0.165 C 
ATOM     14  C   LIG    1        1.390  -1.254   1.228  0.00  0.00    +0.067 A 
ATOM     15  C   LIG    1        1.470  -2.436   1.939  0.00  0.00    -0.005 A 
ATOM     16  C   LIG    1        2.743  -2.833   2.279  0.00  0.00    +0.120 A 
ATOM     17  N   LIG    1        3.849  -2.128   1.980  0.00  0.00    -0.223 NA
ATOM     18  C   LIG    1        3.677  -0.982   1.313  0.00  0.00    +0.216 A 
ATOM     19  N   LIG    1        2.484  -0.523   0.915  0.00  0.00    -0.218 NA
ATOM     20  C   LIG    1        0.260  -3.261   2.248  0.00  0.00    +0.060 C 
ENDROOT
BRANCH   6  21
ATOM     21  C   LIG    1       -3.579   1.475  -0.208  0.00  0.00    -0.026 A 
ATOM     22  C   LIG    1       -4.648   1.694   0.674  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1       -4.701   2.851   1.453  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -3.686   3.801   1.363  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -2.613   3.593   0.499  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -2.557   2.437  -0.280  0.00  0.00    +0.005 A 
ENDBRANCH   6  21
BRANCH  18  27
ATOM     27  N   LIG    1        4.841  -0.277   1.040  0.00  0.00    -0.310 N 
ATOM     28  H   LIG    1        5.580  -0.961   1.175  0.00  0.00    +0.149 HD
BRANCH  27  29
ATOM     29  C   LIG    1        4.870   0.464  -0.221  0.00  0.00    +0.077 C 
ATOM     30  C   LIG    1        6.325   0.596  -0.703  0.00  0.00    +0.050 C 
ATOM     31  C   LIG    1        6.914   1.931  -0.278  0.00  0.00    +0.161 C 
ATOM     32  O   LIG    1        6.220   3.033  -0.861  0.00  0.00    -0.380 OA
ATOM     33  C   LIG    1        4.814   2.847  -1.018  0.00  0.00    +0.161 C 
ATOM     34  C   LIG    1        4.226   1.848  -0.035  0.00  0.00    +0.050 C 
ENDBRANCH  27  29
ENDBRANCH  18  27
TORSDOF 3