REMARK  Name = BDB021759
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.053  -1.680  -1.355  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1        2.011  -0.685  -1.120  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1        1.524   0.503  -0.628  0.00  0.00    -0.269 N 
ATOM      4  H   LIG    1        0.535   0.553  -0.462  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1        3.203  -0.887  -1.345  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        2.233   1.676  -0.293  0.00  0.00    +0.036 A 
ATOM      7  C   LIG    1        1.485   2.742   0.217  0.00  0.00    +0.047 A 
ATOM      8  C   LIG    1        2.110   3.942   0.577  0.00  0.00    +0.084 A 
ATOM      9 CL   LIG    1        1.113   5.212   1.201  0.00  0.00    -0.080 Cl
ATOM     10  C   LIG    1        3.495   4.103   0.435  0.00  0.00    +0.138 A 
ATOM     11  C   LIG    1        4.237   3.036  -0.076  0.00  0.00    +0.049 A 
ATOM     12  C   LIG    1        3.611   1.833  -0.436  0.00  0.00    +0.027 A 
BRANCH  10  13
ATOM     13  O   LIG    1        4.023   5.310   0.811  0.00  0.00    -0.494 OA
ATOM     14  C   LIG    1        5.429   5.481   0.687  0.00  0.00    +0.277 C 
ENDBRANCH  10  13
ENDBRANCH   3   6
BRANCH   1  18
ATOM     15  N   LIG    1       -2.711  -0.087  -0.196  0.00  0.00    -0.300 NA
ATOM     16  C   LIG    1       -2.588  -0.418  -1.624  0.00  0.00    +0.086 C 
ATOM     17  C   LIG    1       -1.122  -0.607  -2.010  0.00  0.00    +0.038 C 
ATOM     18  C   LIG    1       -0.408  -1.614  -1.099  0.00  0.00    +0.080 C 
ATOM     19  C   LIG    1       -0.752  -1.473   0.389  0.00  0.00    +0.038 C 
ATOM     20  C   LIG    1       -2.243  -1.236   0.604  0.00  0.00    +0.086 C 
BRANCH  15  21
ATOM     21  C   LIG    1       -4.083   0.317   0.208  0.00  0.00    +0.054 C 
ATOM     22  C   LIG    1       -4.798   1.260  -0.779  0.00  0.00    +0.024 C 
BRANCH  21  23
ATOM     23  C   LIG    1       -4.115   0.935   1.636  0.00  0.00    +0.018 C 
BRANCH  23  25
ATOM     24  C   LIG    1       -2.915   3.171   1.163  0.00  0.00    +0.004 C 
ATOM     25  C   LIG    1       -2.999   1.920   2.019  0.00  0.00    -0.002 C 
ENDBRANCH  23  25
ENDBRANCH  21  23
ENDBRANCH  15  21
ENDBRANCH   1  18
BRANCH   1  26
ATOM     26  C   LIG    1        1.557  -2.969  -1.845  0.00  0.00    +0.144 C 
BRANCH  26  27
ATOM     27  C   LIG    1        1.573  -4.031  -0.767  0.00  0.00    -0.030 A 
ATOM     28  C   LIG    1        0.697  -5.124  -0.822  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1        0.710  -6.093   0.184  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        1.598  -5.980   1.252  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        2.476  -4.900   1.315  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        2.466  -3.931   0.311  0.00  0.00    +0.005 A 
ENDBRANCH  26  27
ENDBRANCH   1  26
TORSDOF 8