REMARK  Name = BDB022217
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.263  -1.004   1.131  0.00  0.00    +0.042 A 
ATOM      2  C   LIG    1        0.186  -0.718   0.935  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1        1.036  -0.585   2.050  0.00  0.00    +0.054 A 
ATOM      4  C   LIG    1        2.390  -0.280   1.841  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1        2.908  -0.130   0.551  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1        2.097  -0.302  -0.568  0.00  0.00    +0.032 A 
ATOM      7  N   LIG    1        0.516  -0.786   3.362  0.00  0.00    -0.311 N 
ATOM      8  C   LIG    1        1.386  -0.672   4.522  0.00  0.00    +0.152 C 
ATOM      9  C   LIG    1       -0.804  -1.146   3.571  0.00  0.00    +0.253 A 
ATOM     10  O   LIG    1       -1.299  -1.382   4.672  0.00  0.00    -0.268 OA
ATOM     11  C   LIG    1        0.741  -0.593  -0.357  0.00  0.00    +0.035 A 
ATOM     12  C   LIG    1       -1.679  -1.229   2.385  0.00  0.00    +0.093 A 
ENDROOT
BRANCH   1  13
ATOM     13  N   LIG    1       -2.079  -1.014  -0.001  0.00  0.00    -0.335 N 
ATOM     14  H   LIG    1       -1.830  -0.240  -0.625  0.00  0.00    +0.147 HD
BRANCH  13  16
ATOM     15  C   LIG    1       -3.949  -1.786  -1.347  0.00  0.00    +0.034 C 
ATOM     16  C   LIG    1       -3.543  -1.146  -0.018  0.00  0.00    +0.118 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -4.191   0.221   0.114  0.00  0.00    +0.079 A 
ATOM     18  N   LIG    1       -3.680   1.252  -0.622  0.00  0.00    -0.255 NA
ATOM     19  C   LIG    1       -4.301   2.445  -0.471  0.00  0.00    +0.131 A 
ATOM     20  C   LIG    1       -5.390   2.614   0.366  0.00  0.00    +0.130 A 
ATOM     21  N   LIG    1       -5.910   1.600   1.092  0.00  0.00    -0.260 NA
ATOM     22  C   LIG    1       -5.287   0.406   0.950  0.00  0.00    +0.135 A 
ENDBRANCH  16  17
ENDBRANCH  13  16
ENDBRANCH   1  13
BRANCH   6  23
ATOM     23  N   LIG    1        2.561  -0.145  -1.888  0.00  0.00    -0.313 N 
ATOM     24  H   LIG    1        2.041  -0.711  -2.556  0.00  0.00    +0.152 HD
BRANCH  23  25
ATOM     25  C   LIG    1        3.648   0.585  -2.420  0.00  0.00    +0.053 A 
ATOM     26  C   LIG    1        4.327   0.152  -3.574  0.00  0.00    +0.110 A 
ATOM     27  C   LIG    1        5.413   0.898  -4.014  0.00  0.00    +0.148 A 
ATOM     28 CL   LIG    1        6.335   0.487  -5.411  0.00  0.00    -0.061 Cl
ATOM     29  N   LIG    1        5.868   2.017  -3.407  0.00  0.00    -0.242 NA
ATOM     30  C   LIG    1        5.208   2.416  -2.305  0.00  0.00    +0.114 A 
ATOM     31  C   LIG    1        4.117   1.742  -1.782  0.00  0.00    +0.044 A 
BRANCH  26  32
ATOM     32  C   LIG    1        3.914  -1.021  -4.276  0.00  0.00    +0.104 C 
ATOM     33  N   LIG    1        3.528  -1.970  -4.821  0.00  0.00    -0.191 NA
ENDBRANCH  26  32
ENDBRANCH  23  25
ENDBRANCH   6  23
TORSDOF 6