REMARK  Name = BDB029627
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.156  -0.944   0.679  0.00  0.00    -0.293 NA
ATOM      2  C   LIG    1        0.253   0.270  -0.050  0.00  0.00    +0.104 C 
ATOM      3  C   LIG    1        1.640   0.207  -0.738  0.00  0.00    +0.120 C 
ATOM      4  N   LIG    1        2.699  -0.194   0.206  0.00  0.00    -0.326 N 
ATOM      5  C   LIG    1        2.267  -0.941   1.399  0.00  0.00    +0.120 C 
ATOM      6  C   LIG    1        0.995  -1.765   1.094  0.00  0.00    +0.104 C 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        4.006   0.222   0.031  0.00  0.00    +0.048 A 
ATOM      8  C   LIG    1        4.516   0.646  -1.204  0.00  0.00    +0.134 A 
ATOM      9  N   LIG    1        5.784   1.065  -1.448  0.00  0.00    -0.249 NA
ATOM     10  C   LIG    1        6.630   1.072  -0.395  0.00  0.00    +0.125 A 
ATOM     11  C   LIG    1        6.250   0.676   0.879  0.00  0.00    +0.035 A 
ATOM     12  C   LIG    1        4.933   0.250   1.081  0.00  0.00    +0.027 A 
BRANCH  10  13
ATOM     13  C   LIG    1        8.030   1.538  -0.666  0.00  0.00    +0.262 C 
ATOM     14  N   LIG    1        9.034   0.847   0.002  0.00  0.00    -0.313 N 
ATOM     15  H   LIG    1        8.808  -0.059   0.392  0.00  0.00    +0.149 HD
ATOM     16  C   LIG    1       10.417   1.122  -0.296  0.00  0.00    +0.128 C 
ATOM     17  O   LIG    1        8.259   2.459  -1.441  0.00  0.00    -0.269 OA
ENDBRANCH  10  13
ENDBRANCH   4   7
BRANCH   1  18
ATOM     18  C   LIG    1       -1.247  -1.726   0.074  0.00  0.00    +0.085 C 
ATOM     19  C   LIG    1       -0.972  -2.179  -1.372  0.00  0.00    +0.029 C 
BRANCH  18  29
ATOM     20  C   LIG    1       -6.997   1.411   0.187  0.00  0.00    +0.019 A 
ATOM     21  C   LIG    1       -6.542   1.338  -1.241  0.00  0.00    +0.252 A 
ATOM     22  O   LIG    1       -7.202   1.818  -2.158  0.00  0.00    -0.268 OA
ATOM     23  N   LIG    1       -5.348   0.709  -1.486  0.00  0.00    -0.321 N 
ATOM     24  H   LIG    1       -5.062   0.667  -2.454  0.00  0.00    +0.169 HD
ATOM     25  C   LIG    1       -4.552   0.156  -0.476  0.00  0.00    +0.068 A 
ATOM     26  C   LIG    1       -4.964   0.234   0.852  0.00  0.00    +0.088 A 
ATOM     27  N   LIG    1       -4.258  -0.267   1.884  0.00  0.00    -0.253 NA
ATOM     28  C   LIG    1       -3.086  -0.869   1.567  0.00  0.00    +0.116 A 
ATOM     29  C   LIG    1       -2.580  -1.013   0.268  0.00  0.00    -0.010 A 
ATOM     30  C   LIG    1       -3.347  -0.473  -0.773  0.00  0.00    +0.034 A 
ATOM     31  C   LIG    1       -6.228   0.892   1.161  0.00  0.00    +0.038 A 
BRANCH  20  33
ATOM     32  C   LIG    1       -9.503   1.239   0.137  0.00  0.00    +0.009 C 
ATOM     33  C   LIG    1       -8.299   2.112   0.461  0.00  0.00    +0.037 C 
ENDBRANCH  20  33
ENDBRANCH  18  29
ENDBRANCH   1  18
TORSDOF 5