REMARK  Name = BDB022234
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.227   0.423   1.444  0.00  0.00    +0.042 A 
ATOM      2  C   LIG    1        0.108   1.204   0.844  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1       -0.032   2.574   1.141  0.00  0.00    +0.054 A 
ATOM      4  C   LIG    1       -1.075   3.298   0.542  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1       -1.984   2.676  -0.318  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1       -1.884   1.315  -0.604  0.00  0.00    +0.032 A 
ATOM      7  N   LIG    1        0.868   3.196   2.056  0.00  0.00    -0.311 N 
ATOM      8  C   LIG    1        0.726   4.606   2.382  0.00  0.00    +0.152 C 
ATOM      9  C   LIG    1        1.864   2.477   2.694  0.00  0.00    +0.253 A 
ATOM     10  O   LIG    1        2.645   2.946   3.521  0.00  0.00    -0.268 OA
ATOM     11  C   LIG    1       -0.840   0.598  -0.009  0.00  0.00    +0.035 A 
ATOM     12  C   LIG    1        2.007   1.053   2.333  0.00  0.00    +0.093 A 
ENDROOT
BRANCH   1  13
ATOM     13  N   LIG    1        1.389  -0.903   1.046  0.00  0.00    -0.341 N 
ATOM     14  H   LIG    1        1.137  -1.038   0.061  0.00  0.00    +0.146 HD
BRANCH  13  16
ATOM     15  C   LIG    1        2.000  -3.236   1.336  0.00  0.00    +0.028 C 
ATOM     16  C   LIG    1        2.502  -1.792   1.384  0.00  0.00    +0.069 C 
BRANCH  16  17
ATOM     17  C   LIG    1        3.697  -1.549   0.443  0.00  0.00    +0.049 C 
BRANCH  17  18
ATOM     18  C   LIG    1        3.452  -1.888  -1.027  0.00  0.00    +0.157 C 
BRANCH  18  19
ATOM     19  O   LIG    1        2.358  -1.148  -1.556  0.00  0.00    -0.395 OA
ATOM     20  H   LIG    1        2.608  -0.205  -1.520  0.00  0.00    +0.209 HD
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH  13  16
ENDBRANCH   1  13
BRANCH   6  21
ATOM     21  N   LIG    1       -2.864   0.718  -1.420  0.00  0.00    -0.313 N 
ATOM     22  H   LIG    1       -3.252   1.365  -2.104  0.00  0.00    +0.152 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -3.312  -0.619  -1.520  0.00  0.00    +0.053 A 
ATOM     24  C   LIG    1       -3.762  -1.150  -2.744  0.00  0.00    +0.110 A 
ATOM     25  C   LIG    1       -4.146  -2.485  -2.777  0.00  0.00    +0.148 A 
ATOM     26 CL   LIG    1       -4.719  -3.265  -4.203  0.00  0.00    -0.061 Cl
ATOM     27  N   LIG    1       -4.116  -3.316  -1.712  0.00  0.00    -0.242 NA
ATOM     28  C   LIG    1       -3.681  -2.792  -0.551  0.00  0.00    +0.114 A 
ATOM     29  C   LIG    1       -3.274  -1.476  -0.412  0.00  0.00    +0.044 A 
BRANCH  24  30
ATOM     30  C   LIG    1       -3.823  -0.343  -3.920  0.00  0.00    +0.104 C 
ATOM     31  N   LIG    1       -3.872   0.366  -4.838  0.00  0.00    -0.191 NA
ENDBRANCH  24  30
ENDBRANCH  21  23
ENDBRANCH   6  21
TORSDOF 8