REMARK  Name = BDB058350
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.049   1.864  -0.501  0.00  0.00    +0.130 C 
ATOM      2  N   LIG    1        3.672   1.387  -0.346  0.00  0.00    -0.318 N 
ATOM      3  C   LIG    1        3.472   0.005  -0.259  0.00  0.00    +0.127 A 
ATOM      4  N   LIG    1        4.440  -0.789   0.131  0.00  0.00    -0.212 NA
ATOM      5  C   LIG    1        4.132  -2.105   0.350  0.00  0.00    +0.177 A 
ATOM      6  N   LIG    1        2.827  -2.596   0.227  0.00  0.00    -0.199 N 
ATOM      7  C   LIG    1        1.779  -1.772  -0.232  0.00  0.00    +0.130 A 
ATOM      8  N   LIG    1        0.509  -2.337  -0.341  0.00  0.00    -0.299 N 
ATOM      9  H   LIG    1        0.503  -3.335  -0.113  0.00  0.00    +0.154 HD
ATOM     10  C   LIG    1       -0.742  -1.703  -0.192  0.00  0.00    +0.036 A 
ATOM     11  C   LIG    1       -1.898  -2.381  -0.576  0.00  0.00    +0.029 A 
ATOM     12  C   LIG    1       -3.168  -1.771  -0.501  0.00  0.00    -0.020 A 
ATOM     13  C   LIG    1       -4.372  -2.545  -0.960  0.00  0.00    +0.046 C 
ATOM     14  C   LIG    1       -5.561  -2.178  -0.110  0.00  0.00    +0.101 C 
ATOM     15  C   LIG    1       -5.785  -0.687  -0.121  0.00  0.00    +0.220 C 
ATOM     16  O   LIG    1       -6.935  -0.246  -0.138  0.00  0.00    -0.275 OA
ATOM     17  N   LIG    1       -4.645   0.114  -0.014  0.00  0.00    -0.271 N 
ATOM     18  C   LIG    1       -4.857   1.530   0.232  0.00  0.00    +0.138 C 
ATOM     19  C   LIG    1       -3.316  -0.429  -0.091  0.00  0.00    +0.081 A 
ATOM     20  C   LIG    1       -2.138   0.280   0.198  0.00  0.00    +0.144 A 
ATOM     21  O   LIG    1       -2.116   1.613   0.537  0.00  0.00    -0.490 OA
ATOM     22  C   LIG    1       -1.538   2.419  -0.511  0.00  0.00    +0.229 C 
ATOM     23  C   LIG    1       -0.776   3.604   0.097  0.00  0.00    +0.041 C 
ATOM     24  C   LIG    1        0.532   3.218   0.800  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1        1.667   2.865  -0.174  0.00  0.00    +0.019 C 
ATOM     26  C   LIG    1       -0.897  -0.379   0.219  0.00  0.00    +0.070 A 
ATOM     27  N   LIG    1        2.748  -3.920   0.563  0.00  0.00    -0.170 NA
ATOM     28  C   LIG    1        4.005  -4.255   0.863  0.00  0.00    +0.156 A 
ATOM     29  C   LIG    1        4.896  -3.179   0.749  0.00  0.00    +0.116 A 
ATOM     30  C   LIG    1        2.108  -0.520  -0.586  0.00  0.00    +0.087 A 
ATOM     31  C   LIG    1        2.857   2.232   0.559  0.00  0.00    +0.106 C 
ENDROOT
BRANCH  29  32
ATOM     32  C   LIG    1        6.294  -3.180   1.007  0.00  0.00    +0.104 C 
ATOM     33  N   LIG    1        7.433  -3.226   1.228  0.00  0.00    -0.191 NA
ENDBRANCH  29  32
TORSDOF 1