REMARK  Name = BDB049685
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.111   0.784   0.465  0.00  0.00    -0.299 N 
ATOM      2  H   LIG    1       -1.551   1.348   1.190  0.00  0.00    +0.154 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        0.213   0.425   0.793  0.00  0.00    +0.034 A 
ATOM      4  C   LIG    1        0.641   0.564   2.124  0.00  0.00    +0.047 A 
ATOM      5  C   LIG    1        1.923   0.163   2.514  0.00  0.00    +0.084 A 
ATOM      6 CL   LIG    1        2.388   0.367   4.164  0.00  0.00    -0.080 Cl
ATOM      7  C   LIG    1        2.793  -0.393   1.576  0.00  0.00    +0.139 A 
ATOM      8  C   LIG    1        2.368  -0.587   0.265  0.00  0.00    +0.049 A 
ATOM      9  C   LIG    1        1.085  -0.182  -0.119  0.00  0.00    +0.027 A 
BRANCH   7  10
ATOM     10  O   LIG    1        4.043  -0.833   1.922  0.00  0.00    -0.486 OA
BRANCH  10  11
ATOM     11  C   LIG    1        5.011   0.221   1.830  0.00  0.00    +0.264 C 
BRANCH  11  12
ATOM     12  C   LIG    1        5.830   0.064   0.572  0.00  0.00    -0.010 A 
ATOM     13  C   LIG    1        6.651  -1.059   0.397  0.00  0.00    +0.007 A 
ATOM     14  C   LIG    1        7.402  -1.213  -0.769  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1        7.340  -0.247  -1.772  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1        6.524   0.872  -1.611  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        5.772   1.028  -0.445  0.00  0.00    +0.007 A 
ENDBRANCH  11  12
ENDBRANCH  10  11
ENDBRANCH   7  10
ENDBRANCH   1   3
BRANCH   1  19
ATOM     18  C   LIG    1       -3.054   1.165  -0.941  0.00  0.00    +0.116 A 
ATOM     19  C   LIG    1       -1.671   1.112  -0.798  0.00  0.00    +0.140 A 
ATOM     20  N   LIG    1       -0.866   1.345  -1.853  0.00  0.00    -0.220 NA
ATOM     21  C   LIG    1       -1.458   1.675  -3.009  0.00  0.00    +0.225 A 
ATOM     22  N   LIG    1       -2.775   1.791  -3.217  0.00  0.00    -0.220 NA
ATOM     23  C   LIG    1       -3.574   1.544  -2.171  0.00  0.00    +0.133 A 
BRANCH  18  25
ATOM     24  N   LIG    1       -4.268  -0.422   0.507  0.00  0.00    -0.298 N 
ATOM     25  C   LIG    1       -3.939   0.896   0.191  0.00  0.00    +0.253 C 
ATOM     26  O   LIG    1       -4.351   1.873   0.811  0.00  0.00    -0.270 OA
BRANCH  24  28
ATOM     27  C   LIG    1       -4.729  -2.129  -1.228  0.00  0.00    +0.024 C 
ATOM     28  C   LIG    1       -3.750  -1.610  -0.187  0.00  0.00    +0.104 C 
ENDBRANCH  24  28
BRANCH  24  29
ATOM     29  C   LIG    1       -5.130  -0.653   1.666  0.00  0.00    +0.104 C 
ATOM     30  C   LIG    1       -4.327  -0.743   2.955  0.00  0.00    +0.024 C 
ENDBRANCH  24  29
ENDBRANCH  18  25
BRANCH  23  31
ATOM     31  N   LIG    1       -4.950   1.727  -2.389  0.00  0.00    -0.342 N 
ATOM     32  H   LIG    1       -5.466   0.884  -2.154  0.00  0.00    +0.144 HD
ATOM     33  H   LIG    1       -5.287   2.457  -1.761  0.00  0.00    +0.144 HD
ENDBRANCH  23  31
ENDBRANCH   1  19
TORSDOF 9