REMARK  Name = BDB024719
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.328  -1.271  -0.136  0.00  0.00    +0.407 C 
ATOM      2  N   LIG    1        4.563  -0.134   0.179  0.00  0.00    -0.234 N 
ATOM      3  C   LIG    1        5.152   0.952   1.001  0.00  0.00    +0.082 C 
ATOM      4  C   LIG    1        6.233   1.721   0.219  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1        4.146   1.989   1.526  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1        2.856   1.321   1.940  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1        2.293   0.643   0.726  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        0.913   0.668   0.434  0.00  0.00    +0.094 A 
ATOM      9  N   LIG    1       -0.108   1.283   1.117  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1       -1.210   1.022   0.443  0.00  0.00    +0.111 A 
ATOM     11  N   LIG    1       -0.936   0.224  -0.648  0.00  0.00    -0.326 N 
ATOM     12  C   LIG    1        0.424   0.004  -0.683  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1        1.253  -0.708  -1.551  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        2.621  -0.735  -1.248  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        3.157  -0.081  -0.128  0.00  0.00    +0.045 A 
ATOM     16  O   LIG    1        4.947  -2.253  -0.764  0.00  0.00    -0.226 OA
ENDROOT
BRANCH   1  18
ATOM     17  C   LIG    1        7.404  -2.352   0.119  0.00  0.00    +0.282 C 
ATOM     18  O   LIG    1        6.592  -1.207   0.385  0.00  0.00    -0.453 OA
ENDBRANCH   1  18
BRANCH  11  19
ATOM     19  C   LIG    1       -1.891  -0.250  -1.629  0.00  0.00    +0.139 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.702  -1.492  -1.214  0.00  0.00    +0.106 C 
BRANCH  20  21
ATOM     21  N   LIG    1       -1.984  -2.764  -1.397  0.00  0.00    -0.296 NA
ATOM     22  C   LIG    1       -1.126  -3.128  -0.242  0.00  0.00    +0.112 C 
ATOM     23  C   LIG    1       -1.696  -4.257   0.634  0.00  0.00    +0.175 C 
ATOM     24  O   LIG    1       -1.955  -5.467  -0.089  0.00  0.00    -0.377 OA
ATOM     25  C   LIG    1       -2.277  -5.239  -1.467  0.00  0.00    +0.175 C 
ATOM     26  C   LIG    1       -2.922  -3.867  -1.702  0.00  0.00    +0.112 C 
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  11  19
BRANCH  10  27
ATOM     27  C   LIG    1       -2.565   1.536   0.808  0.00  0.00    +0.079 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -2.760   2.967   0.302  0.00  0.00    +0.043 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -4.152   3.472   0.593  0.00  0.00    -0.047 A 
ATOM     30  C   LIG    1       -4.470   3.980   1.860  0.00  0.00    +0.003 A 
ATOM     31  C   LIG    1       -5.762   4.427   2.138  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -6.748   4.369   1.155  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -6.442   3.863  -0.108  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1       -5.151   3.415  -0.388  0.00  0.00    +0.003 A 
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH  10  27
TORSDOF 7