REMARK  Name = BDB056421
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.263   0.329  -0.315  0.00  0.00    +0.144 A 
ATOM      2  N   LIG    1       -3.016   0.857  -0.535  0.00  0.00    -0.334 N 
ATOM      3  H   LIG    1       -2.503   1.442   0.108  0.00  0.00    +0.168 HD
ATOM      4  C   LIG    1       -2.596   0.447  -1.770  0.00  0.00    +0.130 A 
ATOM      5  C   LIG    1       -3.645  -0.321  -2.250  0.00  0.00    +0.182 A 
ATOM      6  N   LIG    1       -3.632  -0.914  -3.464  0.00  0.00    -0.233 NA
ATOM      7  C   LIG    1       -2.511  -0.679  -4.190  0.00  0.00    +0.137 A 
ATOM      8  C   LIG    1       -1.416   0.078  -3.785  0.00  0.00    +0.103 A 
ATOM      9 CL   LIG    1       -0.097   0.301  -4.870  0.00  0.00    -0.078 Cl
ATOM     10  C   LIG    1       -1.433   0.650  -2.511  0.00  0.00    +0.175 A 
ATOM     11  N   LIG    1       -4.662  -0.390  -1.344  0.00  0.00    -0.208 NA
ENDROOT
BRANCH   1  14
ATOM     12  C   LIG    1       -7.249  -0.820   0.446  0.00  0.00    +0.068 C 
ATOM     13  C   LIG    1       -6.378   0.044   1.281  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1       -5.092   0.548   0.973  0.00  0.00    +0.058 A 
ATOM     15  C   LIG    1       -4.717   1.288   2.070  0.00  0.00    +0.119 A 
ATOM     16  N   LIG    1       -5.758   1.193   2.948  0.00  0.00    -0.274 N 
ATOM     17  C   LIG    1       -5.853   1.798   4.255  0.00  0.00    +0.172 C 
ATOM     18  N   LIG    1       -6.779   0.445   2.496  0.00  0.00    -0.176 NA
ENDBRANCH   1  14
BRANCH  10  19
ATOM     19  O   LIG    1       -0.427   1.443  -2.020  0.00  0.00    -0.452 OA
BRANCH  19  20
ATOM     20  C   LIG    1        0.722   0.812  -1.595  0.00  0.00    +0.129 A 
ATOM     21  C   LIG    1        1.895   1.567  -1.689  0.00  0.00    +0.047 A 
ATOM     22  C   LIG    1        3.117   1.032  -1.273  0.00  0.00    +0.016 A 
ATOM     23  C   LIG    1        3.166  -0.261  -0.736  0.00  0.00    +0.037 A 
ATOM     24  C   LIG    1        1.989  -1.016  -0.645  0.00  0.00    +0.016 A 
ATOM     25  C   LIG    1        0.768  -0.480  -1.064  0.00  0.00    +0.047 A 
BRANCH  23  26
ATOM     26  C   LIG    1        4.444  -0.881  -0.281  0.00  0.00    +0.248 C 
ATOM     27  N   LIG    1        5.352  -0.004   0.286  0.00  0.00    -0.281 N 
ATOM     28  H   LIG    1        5.042   0.946   0.440  0.00  0.00    +0.155 HD
ATOM     29  O   LIG    1        4.576  -2.092  -0.406  0.00  0.00    -0.270 OA
BRANCH  27  30
ATOM     30  C   LIG    1        6.646  -0.311   0.764  0.00  0.00    +0.037 A 
ATOM     31  C   LIG    1        7.240  -1.564   0.651  0.00  0.00    +0.043 A 
ATOM     32  C   LIG    1        8.519  -1.736   1.157  0.00  0.00    +0.112 A 
ATOM     33  N   LIG    1        9.233  -0.758   1.755  0.00  0.00    -0.263 NA
ATOM     34  C   LIG    1        8.639   0.447   1.850  0.00  0.00    +0.112 A 
ATOM     35  C   LIG    1        7.365   0.718   1.375  0.00  0.00    +0.043 A 
ENDBRANCH  27  30
ENDBRANCH  23  26
ENDBRANCH  19  20
ENDBRANCH  10  19
TORSDOF 5