REMARK  Name = BDB011195
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.664  -2.479  -0.007  0.00  0.00    +0.146 A 
ATOM      2  C   LIG    1        2.311  -2.152  -0.235  0.00  0.00    +0.114 A 
ATOM      3  N   LIG    1        1.481  -3.083  -0.752  0.00  0.00    -0.250 NA
ATOM      4  C   LIG    1        0.170  -2.804  -0.878  0.00  0.00    +0.127 A 
ATOM      5  C   LIG    1       -0.363  -1.570  -0.580  0.00  0.00    +0.082 A 
ATOM      6  C   LIG    1        0.477  -0.544  -0.182  0.00  0.00    +0.070 A 
ATOM      7  N   LIG    1       -0.108   0.766  -0.153  0.00  0.00    -0.288 N 
ATOM      8  C   LIG    1       -1.509   0.924  -0.059  0.00  0.00    +0.337 A 
ATOM      9  O   LIG    1       -2.018   2.041  -0.165  0.00  0.00    -0.246 OA
ATOM     10  N   LIG    1       -2.256  -0.251   0.074  0.00  0.00    -0.228 N 
ATOM     11  C   LIG    1       -1.806  -1.349  -0.647  0.00  0.00    +0.270 A 
ATOM     12  O   LIG    1       -2.467  -2.133  -1.320  0.00  0.00    -0.266 OA
ATOM     13  C   LIG    1        1.840  -0.857   0.110  0.00  0.00    +0.028 A 
ATOM     14  C   LIG    1        2.733   0.005   0.793  0.00  0.00    +0.012 A 
ATOM     15  C   LIG    1        4.062  -0.339   1.026  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1        4.534  -1.573   0.607  0.00  0.00    +0.048 A 
ENDROOT
BRANCH  10  17
ATOM     17  C   LIG    1       -3.617  -0.200   0.592  0.00  0.00    +0.056 A 
ATOM     18  C   LIG    1       -4.074   0.902   1.343  0.00  0.00    +0.046 A 
ATOM     19  C   LIG    1       -5.365   0.940   1.881  0.00  0.00    +0.043 A 
ATOM     20 CL   LIG    1       -5.874   2.315   2.785  0.00  0.00    -0.083 Cl
ATOM     21  C   LIG    1       -6.237  -0.126   1.711  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1       -5.804  -1.243   1.010  0.00  0.00    +0.003 A 
ATOM     23  C   LIG    1       -4.510  -1.282   0.471  0.00  0.00    +0.026 A 
ENDBRANCH  10  17
BRANCH   7  24
ATOM     24  C   LIG    1        0.687   1.929  -0.612  0.00  0.00    +0.107 C 
ATOM     25  C   LIG    1        0.716   3.132   0.346  0.00  0.00    +0.106 C 
ATOM     26  N   LIG    1        0.912   4.302  -0.524  0.00  0.00    -0.314 NA
ATOM     27  H   LIG    1        1.882   4.329  -0.840  0.00  0.00    +0.122 HD
ATOM     28  C   LIG    1        0.051   4.018  -1.679  0.00  0.00    +0.083 C 
ATOM     29  C   LIG    1        0.230   2.531  -1.955  0.00  0.00    +0.041 C 
ENDBRANCH   7  24
BRANCH   1  31
ATOM     30  C   LIG    1        5.397  -4.128  -0.212  0.00  0.00    +0.277 C 
ATOM     31  O   LIG    1        4.046  -3.741  -0.411  0.00  0.00    -0.493 OA
ENDBRANCH   1  31
TORSDOF 3