REMARK  Name = BDB024766
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.409  -1.239   1.038  0.00  0.00    +0.407 C 
ATOM      2  N   LIG    1        4.597  -0.135   0.716  0.00  0.00    -0.234 N 
ATOM      3  C   LIG    1        5.341   1.052   0.253  0.00  0.00    +0.082 C 
ATOM      4  C   LIG    1        5.903   0.828  -1.162  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1        4.532   2.343   0.333  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1        3.231   2.188  -0.426  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1        2.477   1.004   0.105  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        1.065   0.989   0.034  0.00  0.00    +0.094 A 
ATOM      9  N   LIG    1        0.215   1.922  -0.512  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1       -1.005   1.459  -0.334  0.00  0.00    +0.113 A 
ATOM     11  N   LIG    1       -0.973   0.254   0.333  0.00  0.00    -0.326 N 
ATOM     12  C   LIG    1        0.345  -0.064   0.576  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1        0.964  -1.133   1.216  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        2.366  -1.120   1.264  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        3.150  -0.107   0.683  0.00  0.00    +0.045 A 
ATOM     16  O   LIG    1        6.621  -1.148   1.224  0.00  0.00    -0.226 OA
ENDROOT
BRANCH   1  18
ATOM     17  C   LIG    1        5.619  -3.562   1.318  0.00  0.00    +0.282 C 
ATOM     18  O   LIG    1        4.771  -2.443   1.055  0.00  0.00    -0.453 OA
ENDBRANCH   1  18
BRANCH  11  19
ATOM     19  C   LIG    1       -2.114  -0.560   0.721  0.00  0.00    +0.139 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.453  -1.602  -0.356  0.00  0.00    +0.105 C 
BRANCH  20  21
ATOM     21  N   LIG    1       -3.638  -2.410  -0.023  0.00  0.00    -0.301 NA
ATOM     22  C   LIG    1       -3.383  -3.366   1.054  0.00  0.00    +0.105 C 
BRANCH  21  23
ATOM     23  C   LIG    1       -4.209  -3.071  -1.212  0.00  0.00    +0.112 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -3.322  -4.086  -1.952  0.00  0.00    +0.171 C 
BRANCH  24  25
ATOM     25  O   LIG    1       -4.035  -4.618  -3.065  0.00  0.00    -0.394 OA
ATOM     26  H   LIG    1       -3.439  -5.241  -3.515  0.00  0.00    +0.209 HD
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  11  19
BRANCH  10  27
ATOM     27  C   LIG    1       -2.245   2.160  -0.779  0.00  0.00    +0.097 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -2.604   3.275   0.194  0.00  0.00    +0.151 C 
BRANCH  28  29
ATOM     29  N   LIG    1       -3.830   3.943  -0.194  0.00  0.00    -0.271 N 
ATOM     30  N   LIG    1       -5.014   3.342   0.032  0.00  0.00    -0.180 NA
ATOM     31  C   LIG    1       -5.906   4.218  -0.440  0.00  0.00    +0.134 A 
ATOM     32  C   LIG    1       -5.297   5.372  -0.966  0.00  0.00    +0.041 A 
ATOM     33  C   LIG    1       -3.949   5.164  -0.792  0.00  0.00    +0.108 A 
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH  10  27
TORSDOF 10