REMARK  Name = BDB060909
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.343   1.508   0.059  0.00  0.00    +0.112 A 
ATOM      2  C   LIG    1       -0.319   0.260  -0.553  0.00  0.00    +0.131 A 
ATOM      3  N   LIG    1        1.027  -0.078  -0.591  0.00  0.00    -0.287 N 
ATOM      4  C   LIG    1        1.712   0.914   0.102  0.00  0.00    +0.140 A 
ATOM      5  C   LIG    1        3.122   0.768   0.242  0.00  0.00    +0.055 A 
ATOM      6  C   LIG    1        3.773  -0.281  -0.314  0.00  0.00    -0.008 A 
ATOM      7  C   LIG    1        3.007  -1.276  -1.079  0.00  0.00    +0.027 A 
ATOM      8  C   LIG    1        1.674  -1.155  -1.195  0.00  0.00    +0.095 A 
ATOM      9  N   LIG    1        0.906   1.869   0.511  0.00  0.00    -0.226 NA
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1        5.189  -0.433  -0.183  0.00  0.00    +0.047 A 
ATOM     11  C   LIG    1        5.851  -1.514   0.354  0.00  0.00    +0.142 A 
ATOM     12  C   LIG    1        5.439  -2.798   0.952  0.00  0.00    +0.090 C 
ATOM     13  O   LIG    1        7.191  -1.284   0.301  0.00  0.00    -0.359 OA
ATOM     14  N   LIG    1        7.429  -0.046  -0.265  0.00  0.00    -0.083 NA
ATOM     15  C   LIG    1        6.225   0.463  -0.556  0.00  0.00    +0.088 A 
ATOM     16  C   LIG    1        6.121   1.796  -1.195  0.00  0.00    +0.070 C 
ENDBRANCH   6  10
BRANCH   1  20
ATOM     17  C   LIG    1       -3.777   3.920   0.824  0.00  0.00    +0.120 A 
ATOM     18  C   LIG    1       -2.846   3.672   1.832  0.00  0.00    +0.046 A 
ATOM     19  C   LIG    1       -1.719   2.883   1.569  0.00  0.00    +0.014 A 
ATOM     20  C   LIG    1       -1.517   2.325   0.302  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1       -2.443   2.592  -0.712  0.00  0.00    +0.014 A 
ATOM     22  C   LIG    1       -3.568   3.379  -0.447  0.00  0.00    +0.046 A 
BRANCH  17  24
ATOM     23  C   LIG    1       -5.153   5.274   2.211  0.00  0.00    +0.277 C 
ATOM     24  O   LIG    1       -4.915   4.668   0.946  0.00  0.00    -0.495 OA
ENDBRANCH  17  24
ENDBRANCH   1  20
BRANCH   2  25
ATOM     25  N   LIG    1       -1.313  -0.536  -1.069  0.00  0.00    -0.326 N 
ATOM     26  H   LIG    1       -2.205  -0.053  -1.194  0.00  0.00    +0.148 HD
BRANCH  25  27
ATOM     27  C   LIG    1       -1.578  -1.825  -0.401  0.00  0.00    +0.072 C 
ATOM     28  C   LIG    1       -2.442  -1.611   0.851  0.00  0.00    +0.022 C 
ATOM     29  C   LIG    1       -2.842  -2.938   1.491  0.00  0.00    +0.002 C 
ATOM     30  C   LIG    1       -3.536  -3.859   0.492  0.00  0.00    +0.000 C 
ATOM     31  C   LIG    1       -2.687  -4.074  -0.758  0.00  0.00    +0.002 C 
ATOM     32  C   LIG    1       -2.289  -2.748  -1.401  0.00  0.00    +0.022 C 
ENDBRANCH  25  27
ENDBRANCH   2  25
TORSDOF 5