REMARK  Name = BDB001695
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.042  -0.196   0.372  0.00  0.00    +0.070 A 
ATOM      2  N   LIG    1        0.563   1.096   0.642  0.00  0.00    -0.328 N 
ATOM      3  C   LIG    1        1.351   2.260   1.075  0.00  0.00    +0.123 C 
ATOM      4  C   LIG    1        1.277   3.392   0.058  0.00  0.00    +0.022 C 
ATOM      5  C   LIG    1        0.004   4.235   0.172  0.00  0.00    +0.002 C 
ATOM      6  C   LIG    1       -1.301   3.499  -0.136  0.00  0.00    +0.008 C 
ATOM      7  C   LIG    1       -1.605   2.364   0.830  0.00  0.00    +0.073 C 
ATOM      8  C   LIG    1       -0.783   1.121   0.601  0.00  0.00    +0.095 A 
ATOM      9  N   LIG    1       -1.202  -0.141   0.386  0.00  0.00    -0.301 N 
ATOM     10  C   LIG    1       -0.094  -0.997   0.252  0.00  0.00    +0.046 A 
ATOM     11  C   LIG    1       -0.228  -2.432  -0.105  0.00  0.00    +0.066 C 
ENDROOT
BRANCH   1  15
ATOM     12  C   LIG    1        5.216  -1.492  -0.104  0.00  0.00    +0.121 A 
ATOM     13  C   LIG    1        4.831  -0.207  -0.477  0.00  0.00    +0.046 A 
ATOM     14  C   LIG    1        3.500   0.204  -0.320  0.00  0.00    +0.013 A 
ATOM     15  C   LIG    1        2.545  -0.667   0.212  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1        2.930  -1.959   0.576  0.00  0.00    +0.013 A 
ATOM     17  C   LIG    1        4.260  -2.362   0.422  0.00  0.00    +0.046 A 
BRANCH  12  18
ATOM     18  O   LIG    1        6.472  -2.019  -0.200  0.00  0.00    -0.492 OA
BRANCH  18  20
ATOM     19  C   LIG    1        8.793  -1.975  -0.739  0.00  0.00    +0.048 C 
ATOM     20  C   LIG    1        7.498  -1.183  -0.733  0.00  0.00    +0.225 C 
ENDBRANCH  18  20
ENDBRANCH  12  18
ENDBRANCH   1  15
BRANCH   9  21
ATOM     21  C   LIG    1       -2.600  -0.536   0.306  0.00  0.00    +0.048 A 
ATOM     22  C   LIG    1       -3.405   0.030  -0.674  0.00  0.00    +0.030 A 
ATOM     23  C   LIG    1       -4.744  -0.366  -0.759  0.00  0.00    +0.047 A 
ATOM     24  C   LIG    1       -5.251  -1.320   0.129  0.00  0.00    +0.121 A 
ATOM     25  C   LIG    1       -4.409  -1.874   1.103  0.00  0.00    +0.047 A 
ATOM     26  C   LIG    1       -3.072  -1.491   1.195  0.00  0.00    +0.030 A 
BRANCH  24  27
ATOM     27  O   LIG    1       -6.531  -1.790   0.166  0.00  0.00    -0.492 OA
BRANCH  27  28
ATOM     28  C   LIG    1       -7.452  -1.402  -0.853  0.00  0.00    +0.225 C 
ATOM     29  C   LIG    1       -8.175  -0.124  -0.467  0.00  0.00    +0.048 C 
ENDBRANCH  27  28
ENDBRANCH  24  27
ENDBRANCH   9  21
TORSDOF 6