REMARK  Name = BDB007881
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.030  -0.799   3.258  0.00  0.00    +0.063 C 
ATOM      2  C   LIG    1       -1.027  -1.391   2.330  0.00  0.00    +0.017 A 
ATOM      3  N   LIG    1       -1.333  -1.878   1.075  0.00  0.00    -0.342 N 
ATOM      4  C   LIG    1       -0.188  -2.400   0.485  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1       -0.223  -3.118  -0.825  0.00  0.00    +0.064 C 
ATOM      6  C   LIG    1        0.882  -2.145   1.343  0.00  0.00    +0.057 A 
ATOM      7  C   LIG    1        0.328  -1.556   2.515  0.00  0.00    +0.035 A 
ENDROOT
BRANCH   6   8
ATOM      8  C   LIG    1        2.305  -2.437   1.159  0.00  0.00    +0.246 C 
ATOM      9  N   LIG    1        2.750  -2.322  -0.138  0.00  0.00    -0.307 N 
ATOM     10  H   LIG    1        2.138  -1.857  -0.791  0.00  0.00    +0.149 HD
ATOM     11  O   LIG    1        3.045  -2.696   2.102  0.00  0.00    -0.270 OA
BRANCH   9  12
ATOM     12  C   LIG    1        4.154  -2.378  -0.465  0.00  0.00    +0.139 C 
BRANCH  12  13
ATOM     13  C   LIG    1        4.716  -0.991  -0.649  0.00  0.00    -0.030 A 
ATOM     14  C   LIG    1        4.874  -0.445  -1.929  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1        5.374   0.850  -2.090  0.00  0.00    +0.005 A 
ATOM     16  C   LIG    1        5.713   1.628  -0.974  0.00  0.00    -0.034 A 
ATOM     17  C   LIG    1        5.555   1.080   0.306  0.00  0.00    +0.005 A 
ATOM     18  C   LIG    1        5.057  -0.215   0.467  0.00  0.00    +0.005 A 
BRANCH  16  19
ATOM     19  C   LIG    1        6.276   3.014  -1.148  0.00  0.00    +0.113 C 
BRANCH  19  20
ATOM     20  N   LIG    1        7.731   2.985  -1.246  0.00  0.00    -0.326 NA
ATOM     21  H   LIG    1        7.993   2.365  -2.011  0.00  0.00    +0.119 HD
ATOM     22  H   LIG    1        8.102   2.545  -0.405  0.00  0.00    +0.119 HD
ENDBRANCH  19  20
ENDBRANCH  16  19
ENDBRANCH  12  13
ENDBRANCH   9  12
ENDBRANCH   6   8
BRANCH   3  23
ATOM     23  C   LIG    1       -2.674  -1.861   0.484  0.00  0.00    +0.177 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -3.034  -0.516  -0.064  0.00  0.00    +0.069 A 
ATOM     25  N   LIG    1       -4.346  -0.079   0.081  0.00  0.00    -0.242 NA
ATOM     26  C   LIG    1       -4.516   1.120  -0.447  0.00  0.00    +0.109 A 
ATOM     27  S   LIG    1       -3.093   1.774  -1.170  0.00  0.00    -0.075 S 
ATOM     28  C   LIG    1       -2.218   0.372  -0.738  0.00  0.00    +0.072 A 
BRANCH  26  29
ATOM     29  C   LIG    1       -5.803   1.849  -0.434  0.00  0.00    +0.007 A 
ATOM     30  C   LIG    1       -5.976   3.134  -0.976  0.00  0.00    +0.010 A 
ATOM     31  C   LIG    1       -7.221   3.773  -0.933  0.00  0.00    +0.001 A 
ATOM     32  C   LIG    1       -8.314   3.142  -0.348  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -8.166   1.870   0.197  0.00  0.00    +0.001 A 
ATOM     34  C   LIG    1       -6.923   1.233   0.154  0.00  0.00    +0.010 A 
ENDBRANCH  26  29
ENDBRANCH  23  24
ENDBRANCH   3  23
TORSDOF 8