REMARK  Name = BDB056420
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.022  -0.544  -0.970  0.00  0.00    +0.144 A 
ATOM      2  N   LIG    1       -1.944   0.258  -1.241  0.00  0.00    -0.334 N 
ATOM      3  H   LIG    1       -1.410   0.753  -0.543  0.00  0.00    +0.168 HD
ATOM      4  C   LIG    1       -1.706   0.228  -2.589  0.00  0.00    +0.130 A 
ATOM      5  C   LIG    1       -2.720  -0.587  -3.079  0.00  0.00    +0.182 A 
ATOM      6  N   LIG    1       -2.874  -0.875  -4.390  0.00  0.00    -0.233 NA
ATOM      7  C   LIG    1       -1.961  -0.295  -5.203  0.00  0.00    +0.137 A 
ATOM      8  C   LIG    1       -0.914   0.529  -4.799  0.00  0.00    +0.103 A 
ATOM      9 CL   LIG    1        0.155   1.175  -5.987  0.00  0.00    -0.078 Cl
ATOM     10  C   LIG    1       -0.749   0.803  -3.437  0.00  0.00    +0.175 A 
ATOM     11  N   LIG    1       -3.520  -1.055  -2.076  0.00  0.00    -0.208 NA
ENDROOT
BRANCH   1  14
ATOM     12  C   LIG    1       -5.580  -2.389  -0.026  0.00  0.00    +0.068 C 
ATOM     13  C   LIG    1       -4.663  -1.609   0.841  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1       -3.563  -0.810   0.454  0.00  0.00    +0.058 A 
ATOM     15  C   LIG    1       -3.045  -0.307   1.625  0.00  0.00    +0.119 A 
ATOM     16  N   LIG    1       -3.831  -0.812   2.619  0.00  0.00    -0.274 N 
ATOM     17  C   LIG    1       -3.692  -0.583   4.037  0.00  0.00    +0.172 C 
ATOM     18  N   LIG    1       -4.823  -1.604   2.173  0.00  0.00    -0.176 NA
ENDBRANCH   1  14
BRANCH  10  19
ATOM     19  O   LIG    1        0.284   1.651  -3.052  0.00  0.00    -0.452 OA
BRANCH  19  20
ATOM     20  C   LIG    1        0.797   1.484  -1.791  0.00  0.00    +0.129 A 
ATOM     21  C   LIG    1        0.673   2.546  -0.893  0.00  0.00    +0.047 A 
ATOM     22  C   LIG    1        1.126   2.395   0.417  0.00  0.00    +0.016 A 
ATOM     23  C   LIG    1        1.740   1.198   0.806  0.00  0.00    +0.037 A 
ATOM     24  C   LIG    1        1.887   0.145  -0.106  0.00  0.00    +0.016 A 
ATOM     25  C   LIG    1        1.430   0.296  -1.415  0.00  0.00    +0.047 A 
BRANCH  23  26
ATOM     26  C   LIG    1        2.127   1.030   2.219  0.00  0.00    +0.248 C 
ATOM     27  N   LIG    1        3.366   0.564   2.583  0.00  0.00    -0.280 N 
ATOM     28  H   LIG    1        3.381   0.271   3.554  0.00  0.00    +0.155 HD
ATOM     29  O   LIG    1        1.265   1.235   3.073  0.00  0.00    -0.270 OA
BRANCH  27  30
ATOM     30  C   LIG    1        4.598   0.522   1.902  0.00  0.00    +0.052 A 
ATOM     31  C   LIG    1        5.639  -0.215   2.468  0.00  0.00    +0.134 A 
ATOM     32  N   LIG    1        6.880  -0.337   1.937  0.00  0.00    -0.261 NA
ATOM     33  C   LIG    1        7.108   0.325   0.786  0.00  0.00    +0.111 A 
ATOM     34  C   LIG    1        6.156   1.104   0.152  0.00  0.00    +0.021 A 
ATOM     35  C   LIG    1        4.886   1.209   0.725  0.00  0.00    +0.026 A 
ENDBRANCH  27  30
ENDBRANCH  23  26
ENDBRANCH  19  20
ENDBRANCH  10  19
TORSDOF 5