REMARK  Name = BDB017810
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.010  -1.719  -0.207  0.00  0.00    +0.107 C 
ATOM      2  C   LIG    1       -0.118  -0.957   0.721  0.00  0.00    -0.023 A 
ATOM      3  C   LIG    1       -0.771  -0.642   1.911  0.00  0.00    -0.042 A 
ATOM      4  C   LIG    1       -0.115   0.048   2.916  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1        1.222   0.415   2.719  0.00  0.00    +0.010 A 
ATOM      6  C   LIG    1        1.901   0.091   1.527  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1       -2.188  -1.113   1.915  0.00  0.00    +0.037 C 
ATOM      8  C   LIG    1        1.214  -0.612   0.525  0.00  0.00    +0.015 A 
ATOM      9  C   LIG    1       -2.338  -1.841   0.568  0.00  0.00    +0.032 C 
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1        3.291   0.468   1.301  0.00  0.00    +0.089 A 
ATOM     11  N   LIG    1        3.980   0.131   0.136  0.00  0.00    -0.232 NA
ATOM     12  C   LIG    1        5.170   0.640   0.307  0.00  0.00    +0.110 A 
ATOM     13  C   LIG    1        6.435   0.705  -0.448  0.00  0.00    +0.076 C 
ATOM     14  C   LIG    1        7.429   1.159   0.652  0.00  0.00    +0.029 C 
ATOM     15  C   LIG    1        6.578   1.851   1.735  0.00  0.00    +0.123 C 
ATOM     16  N   LIG    1        5.272   1.278   1.501  0.00  0.00    -0.334 N 
ATOM     17  C   LIG    1        4.107   1.189   2.166  0.00  0.00    +0.115 A 
ENDBRANCH   6  10
BRANCH   1  19
ATOM     18  C   LIG    1       -1.632   0.045  -1.974  0.00  0.00    +0.247 C 
ATOM     19  N   LIG    1       -1.126  -1.196  -1.578  0.00  0.00    -0.290 N 
ATOM     20  O   LIG    1       -1.846   0.354  -3.147  0.00  0.00    -0.270 OA
BRANCH  18  23
ATOM     21  C   LIG    1       -3.626   2.308   0.260  0.00  0.00    +0.121 A 
ATOM     22  C   LIG    1       -3.297   1.292  -0.636  0.00  0.00    +0.058 A 
ATOM     23  C   LIG    1       -1.956   1.081  -0.982  0.00  0.00    +0.040 A 
ATOM     24  C   LIG    1       -0.953   1.927  -0.506  0.00  0.00    +0.013 A 
ATOM     25  C   LIG    1       -1.281   2.940   0.391  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1       -2.611   3.120   0.778  0.00  0.00    +0.045 A 
BRANCH  21  28
ATOM     27  C   LIG    1       -5.958   1.865   0.145  0.00  0.00    +0.277 C 
ATOM     28  O   LIG    1       -4.883   2.609   0.707  0.00  0.00    -0.495 OA
ENDBRANCH  21  28
ENDBRANCH  18  23
BRANCH  19  29
ATOM     29  C   LIG    1       -0.831  -2.148  -2.648  0.00  0.00    +0.112 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -1.938  -3.155  -2.784  0.00  0.00    +0.006 C 
ATOM     31  C   LIG    1       -3.233  -2.795  -3.466  0.00  0.00    +0.005 C 
ATOM     32  C   LIG    1       -2.272  -3.738  -4.134  0.00  0.00    +0.005 C 
ENDBRANCH  29  30
ENDBRANCH  19  29
ENDBRANCH   1  19
TORSDOF 6