REMARK  Name = BDB051452
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.277  -0.209  -0.111  0.00  0.00    +0.064 A 
ATOM      2  C   LIG    1       -2.915  -0.568  -0.102  0.00  0.00    +0.102 A 
ATOM      3  C   LIG    1       -2.573  -1.915  -0.164  0.00  0.00    +0.067 A 
ATOM      4  N   LIG    1       -1.201  -1.922  -0.137  0.00  0.00    -0.338 N 
ATOM      5  H   LIG    1       -0.624  -2.747  -0.186  0.00  0.00    +0.167 HD
ATOM      6  C   LIG    1       -0.745  -0.626  -0.056  0.00  0.00    +0.139 A 
ATOM      7  C   LIG    1       -3.510  -2.947  -0.239  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1       -4.858  -2.576  -0.248  0.00  0.00    +0.003 A 
ATOM      9  N   LIG    1       -1.771   0.208  -0.041  0.00  0.00    -0.227 NA
ATOM     10  C   LIG    1       -5.239  -1.234  -0.185  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1        0.671  -0.242  -0.015  0.00  0.00    +0.017 A 
ATOM     12  C   LIG    1        1.021   1.102  -0.220  0.00  0.00    +0.012 A 
ATOM     13  C   LIG    1        2.357   1.517  -0.191  0.00  0.00    +0.014 A 
ATOM     14  C   LIG    1        3.370   0.586   0.050  0.00  0.00    +0.039 A 
ATOM     15  C   LIG    1        3.036  -0.756   0.263  0.00  0.00    +0.014 A 
ATOM     16  C   LIG    1        1.697  -1.166   0.232  0.00  0.00    +0.012 A 
BRANCH  14  17
ATOM     17  C   LIG    1        4.783   0.983   0.089  0.00  0.00    +0.250 A 
ATOM     18  O   LIG    1        5.048   2.295  -0.120  0.00  0.00    -0.388 OA
ATOM     19  C   LIG    1        6.404   2.372  -0.029  0.00  0.00    +0.436 A 
ATOM     20  O   LIG    1        7.071   3.383  -0.155  0.00  0.00    -0.221 OA
ATOM     21  N   LIG    1        6.843   1.103   0.225  0.00  0.00    -0.208 N 
ATOM     22  H   LIG    1        7.809   0.832   0.347  0.00  0.00    +0.195 HD
ATOM     23  N   LIG    1        5.813   0.221   0.300  0.00  0.00    -0.130 NA
ENDBRANCH  14  17
ENDBRANCH   6  11
BRANCH   1  27
ATOM     24  N   LIG    1       -3.758   2.164   0.038  0.00  0.00    -0.325 N 
ATOM     25  H   LIG    1       -4.034   3.133   0.093  0.00  0.00    +0.145 HD
ATOM     26  H   LIG    1       -2.771   1.917   0.059  0.00  0.00    +0.145 HD
ATOM     27  C   LIG    1       -4.723   1.202  -0.044  0.00  0.00    +0.244 C 
ATOM     28  O   LIG    1       -5.911   1.501  -0.059  0.00  0.00    -0.270 OA
ENDBRANCH   1  27
TORSDOF 3