REMARK  Name = BDB061448
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.929   0.098   0.003  0.00  0.00    -0.011 A 
ATOM      2  C   LIG    1       -2.399  -1.218   0.015  0.00  0.00    +0.052 A 
ATOM      3  C   LIG    1       -3.708  -1.476  -0.363  0.00  0.00    +0.119 A 
ATOM      4  N   LIG    1       -4.560  -0.517  -0.755  0.00  0.00    -0.218 NA
ATOM      5  C   LIG    1       -4.113   0.749  -0.762  0.00  0.00    +0.119 A 
ATOM      6  C   LIG    1       -2.821   1.097  -0.399  0.00  0.00    +0.052 A 
ENDROOT
BRANCH   1  15
ATOM      7  C   LIG    1        5.528   0.411   0.607  0.00  0.00    +0.086 C 
ATOM      8  C   LIG    1        4.053   0.377   0.516  0.00  0.00    +0.106 A 
ATOM      9  C   LIG    1        3.166  -0.338  -0.273  0.00  0.00    -0.002 A 
ATOM     10  C   LIG    1        3.491  -1.340  -1.317  0.00  0.00    +0.048 C 
ATOM     11  C   LIG    1        1.862   0.087   0.129  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1        2.054   1.032   1.127  0.00  0.00    +0.135 A 
ATOM     13  C   LIG    1        1.025   1.697   1.783  0.00  0.00    +0.047 A 
ATOM     14  C   LIG    1       -0.280   1.370   1.391  0.00  0.00    +0.012 A 
ATOM     15  C   LIG    1       -0.545   0.418   0.388  0.00  0.00    -0.017 A 
ATOM     16  C   LIG    1        0.540  -0.226  -0.246  0.00  0.00    +0.020 A 
ATOM     17  O   LIG    1        3.381   1.207   1.361  0.00  0.00    -0.460 OA
ENDBRANCH   1  15
BRANCH   3  18
ATOM     18  N   LIG    1       -4.191  -2.784  -0.379  0.00  0.00    -0.343 N 
ATOM     19  H   LIG    1       -5.171  -2.734  -0.646  0.00  0.00    +0.144 HD
ATOM     20  H   LIG    1       -4.066  -3.240   0.517  0.00  0.00    +0.144 HD
ENDBRANCH   3  18
BRANCH   5  21
ATOM     21  N   LIG    1       -5.010   1.724  -1.196  0.00  0.00    -0.343 N 
ATOM     22  H   LIG    1       -5.895   1.255  -1.371  0.00  0.00    +0.144 HD
ATOM     23  H   LIG    1       -5.104   2.474  -0.522  0.00  0.00    +0.144 HD
ENDBRANCH   5  21
TORSDOF 3