REMARK  Name = BDB013995
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.814   0.820  -0.861  0.00  0.00    +0.160 C 
ATOM      2  C   LIG    1        0.778  -0.281  -1.017  0.00  0.00    +0.240 C 
ATOM      3  O   LIG    1        1.182  -1.454  -1.057  0.00  0.00    -0.273 OA
ATOM      4  N   LIG    1       -0.577   0.050  -1.097  0.00  0.00    -0.265 N 
ATOM      5  C   LIG    1       -1.147   1.382  -1.275  0.00  0.00    +0.040 A 
ATOM      6  C   LIG    1       -0.468   2.547  -1.709  0.00  0.00    -0.026 A 
ATOM      7  C   LIG    1       -1.183   3.780  -1.805  0.00  0.00    +0.005 A 
ATOM      8  C   LIG    1       -2.533   3.893  -1.513  0.00  0.00    +0.000 A 
ATOM      9  C   LIG    1       -3.213   2.765  -1.117  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1        0.967   2.726  -2.150  0.00  0.00    +0.039 C 
ATOM     11  C   LIG    1       -2.531   1.547  -1.007  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1        1.883   1.533  -2.191  0.00  0.00    +0.036 C 
ENDROOT
BRANCH   1  14
ATOM     13  C   LIG    1        4.140   0.889   0.008  0.00  0.00    +0.230 C 
ATOM     14  N   LIG    1        3.092   0.188  -0.535  0.00  0.00    -0.303 N 
ATOM     15  H   LIG    1        3.124  -0.824  -0.629  0.00  0.00    +0.149 HD
ATOM     16  O   LIG    1        4.099   2.112   0.150  0.00  0.00    -0.274 OA
BRANCH  13  17
ATOM     17  C   LIG    1        5.403   0.051   0.339  0.00  0.00    +0.137 C 
ATOM     18  C   LIG    1        5.077  -1.139   1.237  0.00  0.00    +0.034 C 
BRANCH  17  20
ATOM     19  C   LIG    1        7.745   0.640   0.630  0.00  0.00    +0.101 C 
ATOM     20  N   LIG    1        6.377   0.918   1.039  0.00  0.00    -0.309 NA
ATOM     21  H   LIG    1        6.146   1.892   0.810  0.00  0.00    +0.122 HD
ENDBRANCH  17  20
ENDBRANCH  13  17
ENDBRANCH   1  14
BRANCH   4  22
ATOM     22  C   LIG    1       -1.479  -1.128  -1.145  0.00  0.00    +0.149 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -2.389  -1.447   0.057  0.00  0.00    -0.023 A 
ATOM     24  C   LIG    1       -2.000  -1.254   1.414  0.00  0.00    -0.043 A 
ATOM     25  C   LIG    1       -0.597  -0.842   1.783  0.00  0.00    +0.044 C 
ATOM     26  C   LIG    1       -2.948  -1.448   2.447  0.00  0.00    -0.047 A 
ATOM     27  C   LIG    1       -2.626  -1.197   3.899  0.00  0.00    +0.044 C 
ATOM     28  C   LIG    1       -4.233  -1.909   2.137  0.00  0.00    +0.007 A 
ATOM     29  C   LIG    1       -4.613  -2.192   0.824  0.00  0.00    -0.047 A 
ATOM     30  C   LIG    1       -6.007  -2.711   0.584  0.00  0.00    +0.044 C 
ATOM     31  C   LIG    1       -3.684  -2.001  -0.221  0.00  0.00    -0.043 A 
ATOM     32  C   LIG    1       -4.087  -2.347  -1.640  0.00  0.00    +0.044 C 
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 5