REMARK  Name = BDB056187
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.396   0.129  -0.527  0.00  0.00    -0.327 N 
ATOM      2  C   LIG    1        2.012   1.259  -1.387  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1        0.668   0.967  -2.093  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1       -0.471   0.750  -1.173  0.00  0.00    -0.295 NA
ATOM      5  C   LIG    1       -0.016   0.155   0.104  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1        1.294  -0.666   0.039  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1        6.432  -0.670   0.480  0.00  0.00    +0.037 A 
ATOM      8  C   LIG    1        6.062   0.580  -0.016  0.00  0.00    +0.015 A 
ATOM      9  C   LIG    1        4.723   0.837  -0.347  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1        3.716  -0.131  -0.200  0.00  0.00    +0.030 A 
ATOM     11  C   LIG    1        4.123  -1.385   0.286  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1        5.457  -1.658   0.618  0.00  0.00    +0.015 A 
BRANCH   7  16
ATOM     13  C   LIG    1        9.961  -0.173   1.742  0.00  0.00    +0.128 C 
ATOM     14  N   LIG    1        8.627   0.060   1.250  0.00  0.00    -0.314 N 
ATOM     15  H   LIG    1        8.175   0.924   1.514  0.00  0.00    +0.149 HD
ATOM     16  C   LIG    1        7.838  -0.998   0.845  0.00  0.00    +0.244 C 
ATOM     17  O   LIG    1        8.230  -2.159   0.809  0.00  0.00    -0.270 OA
ENDBRANCH   7  16
ENDBRANCH   1  10
BRANCH   4  18
ATOM     18  C   LIG    1       -1.511  -0.050  -1.837  0.00  0.00    +0.119 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.844  -0.013  -1.116  0.00  0.00    -0.028 A 
ATOM     20  C   LIG    1       -3.535  -1.207  -0.838  0.00  0.00    +0.054 A 
ATOM     21  C   LIG    1       -4.772  -1.188  -0.181  0.00  0.00    +0.164 A 
ATOM     22  C   LIG    1       -5.335   0.047   0.178  0.00  0.00    +0.184 A 
ATOM     23  O   LIG    1       -6.522   0.034   0.871  0.00  0.00    -0.474 OA
ATOM     24  C   LIG    1       -7.251   1.254   0.793  0.00  0.00    +0.256 C 
ATOM     25  C   LIG    1       -6.433   2.553   0.864  0.00  0.00    +0.258 C 
ATOM     26  N   LIG    1       -5.190   2.465   0.295  0.00  0.00    -0.279 N 
ATOM     27  H   LIG    1       -4.650   3.317   0.229  0.00  0.00    +0.155 HD
ATOM     28  O   LIG    1       -6.856   3.621   1.300  0.00  0.00    -0.271 OA
ATOM     29  C   LIG    1       -8.305   1.229   1.893  0.00  0.00    +0.062 C 
ATOM     30  C   LIG    1       -4.655   1.238  -0.103  0.00  0.00    +0.080 A 
ATOM     31  C   LIG    1       -3.419   1.211  -0.745  0.00  0.00    +0.032 A 
BRANCH  21  32
ATOM     32  O   LIG    1       -5.505  -2.300   0.140  0.00  0.00    -0.491 OA
ATOM     33  C   LIG    1       -4.937  -3.570  -0.146  0.00  0.00    +0.277 C 
ENDBRANCH  21  32
ENDBRANCH  18  19
ENDBRANCH   4  18
TORSDOF 5