REMARK  Name = BDB055627
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.285   0.902  -1.319  0.00  0.00    +0.094 A 
ATOM      2  C   LIG    1       -0.518   1.537  -0.385  0.00  0.00    +0.136 A 
ATOM      3  N   LIG    1       -1.643   0.944   0.061  0.00  0.00    -0.199 NA
ATOM      4  C   LIG    1       -2.004  -0.251  -0.439  0.00  0.00    +0.221 A 
ATOM      5  N   LIG    1       -1.300  -0.893  -1.379  0.00  0.00    -0.222 NA
ATOM      6  C   LIG    1       -0.171  -0.299  -1.808  0.00  0.00    +0.131 A 
ENDROOT
BRANCH   1   9
ATOM      7  N   LIG    1        2.669   0.836  -1.960  0.00  0.00    -0.308 N 
ATOM      8  H   LIG    1        3.414   1.436  -2.301  0.00  0.00    +0.149 HD
ATOM      9  C   LIG    1        1.488   1.535  -1.867  0.00  0.00    +0.249 C 
ATOM     10  O   LIG    1        1.423   2.702  -2.248  0.00  0.00    -0.270 OA
BRANCH   7  15
ATOM     11  C   LIG    1        5.168  -2.917   1.423  0.00  0.00    +0.104 C 
ATOM     12  N   LIG    1        4.365  -2.028   0.585  0.00  0.00    -0.305 NA
ATOM     13  C   LIG    1        4.720  -2.182  -0.833  0.00  0.00    +0.086 C 
ATOM     14  C   LIG    1        4.304  -0.985  -1.697  0.00  0.00    +0.037 C 
ATOM     15  C   LIG    1        3.088  -0.278  -1.103  0.00  0.00    +0.076 C 
ATOM     16  C   LIG    1        3.389   0.206   0.326  0.00  0.00    +0.037 C 
ATOM     17  C   LIG    1        4.460  -0.638   1.024  0.00  0.00    +0.086 C 
ENDBRANCH   7  15
ENDBRANCH   1   9
BRANCH   2  18
ATOM     18  N   LIG    1       -0.119   2.755   0.180  0.00  0.00    -0.321 N 
ATOM     19  H   LIG    1        0.327   3.333  -0.541  0.00  0.00    +0.148 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -1.029   3.549   1.018  0.00  0.00    +0.128 C 
ATOM     21  C   LIG    1       -2.351   3.937   0.371  0.00  0.00    +0.162 C 
ATOM     22  C   LIG    1       -3.160   4.332   1.595  0.00  0.00    +0.193 C 
ATOM     23  O   LIG    1       -2.767   3.450   2.659  0.00  0.00    -0.375 OA
ATOM     24  C   LIG    1       -1.457   2.930   2.344  0.00  0.00    +0.184 C 
BRANCH  21  25
ATOM     25  O   LIG    1       -2.213   5.009  -0.554  0.00  0.00    -0.388 OA
ATOM     26  H   LIG    1       -1.708   4.661  -1.311  0.00  0.00    +0.210 HD
ENDBRANCH  21  25
ENDBRANCH  18  20
ENDBRANCH   2  18
BRANCH   4  27
ATOM     27  N   LIG    1       -3.178  -0.776   0.095  0.00  0.00    -0.283 N 
ATOM     28  H   LIG    1       -3.522  -0.142   0.803  0.00  0.00    +0.155 HD
BRANCH  27  29
ATOM     29  C   LIG    1       -3.890  -1.964  -0.102  0.00  0.00    +0.036 A 
ATOM     30  C   LIG    1       -3.514  -2.959  -1.010  0.00  0.00    +0.043 A 
ATOM     31  C   LIG    1       -4.279  -4.120  -1.162  0.00  0.00    +0.044 A 
ATOM     32 CL   LIG    1       -3.783  -5.326  -2.288  0.00  0.00    -0.083 Cl
ATOM     33  C   LIG    1       -5.436  -4.314  -0.417  0.00  0.00    +0.040 A 
ATOM     34  C   LIG    1       -5.824  -3.332   0.484  0.00  0.00    +0.044 A 
ATOM     35 CL   LIG    1       -7.254  -3.547   1.417  0.00  0.00    -0.083 Cl
ATOM     36  C   LIG    1       -5.064  -2.170   0.642  0.00  0.00    +0.043 A 
ENDBRANCH  27  29
ENDBRANCH   4  27
TORSDOF 7