REMARK  Name = BDB058172
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.433  -0.134  -0.009  0.00  0.00    +0.165 A 
ATOM      2  N   LIG    1        1.096  -1.363   0.420  0.00  0.00    -0.212 NA
ATOM      3  C   LIG    1       -0.062  -1.441   1.071  0.00  0.00    +0.131 A 
ATOM      4  N   LIG    1       -0.558  -2.645   1.646  0.00  0.00    -0.307 N 
ATOM      5  C   LIG    1       -1.911  -2.293   2.162  0.00  0.00    +0.105 C 
ATOM      6  C   LIG    1       -2.114  -0.771   2.002  0.00  0.00    +0.066 C 
ATOM      7  C   LIG    1       -3.007  -3.118   1.452  0.00  0.00    +0.182 C 
ATOM      8  O   LIG    1       -2.868  -3.089   0.028  0.00  0.00    -0.376 OA
ATOM      9  C   LIG    1       -1.587  -3.574  -0.422  0.00  0.00    +0.179 C 
ATOM     10  C   LIG    1       -0.522  -3.753   0.681  0.00  0.00    +0.135 C 
ATOM     11  C   LIG    1       -0.901  -0.367   1.253  0.00  0.00    +0.034 A 
ATOM     12  C   LIG    1       -0.511   0.858   0.768  0.00  0.00    +0.130 A 
ATOM     13  N   LIG    1        0.676   0.975   0.149  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   1  17
ATOM     14  C   LIG    1        5.122   0.400  -2.047  0.00  0.00    +0.116 A 
ATOM     15  N   LIG    1        4.293   1.445  -1.915  0.00  0.00    -0.240 NA
ATOM     16  C   LIG    1        3.123   1.230  -1.254  0.00  0.00    +0.124 A 
ATOM     17  C   LIG    1        2.716   0.014  -0.708  0.00  0.00    +0.037 A 
ATOM     18  C   LIG    1        3.614  -1.048  -0.879  0.00  0.00    +0.016 A 
ATOM     19  C   LIG    1        4.821  -0.858  -1.554  0.00  0.00    +0.044 A 
BRANCH  14  20
ATOM     20  N   LIG    1        6.306   0.627  -2.742  0.00  0.00    -0.343 N 
ATOM     21  H   LIG    1        7.113   0.349  -2.198  0.00  0.00    +0.144 HD
ATOM     22  H   LIG    1        6.326   1.620  -2.966  0.00  0.00    +0.144 HD
ENDBRANCH  14  20
ENDBRANCH   1  17
BRANCH  12  23
ATOM     23  N   LIG    1       -1.319   1.988   0.928  0.00  0.00    -0.310 N 
ATOM     24  C   LIG    1       -2.606   1.938   0.196  0.00  0.00    +0.134 C 
ATOM     25  C   LIG    1       -2.742   3.111  -0.789  0.00  0.00    +0.178 C 
ATOM     26  O   LIG    1       -2.616   4.396  -0.165  0.00  0.00    -0.377 OA
ATOM     27  C   LIG    1       -1.628   4.423   0.880  0.00  0.00    +0.178 C 
ATOM     28  C   LIG    1       -0.609   3.276   0.797  0.00  0.00    +0.134 C 
ENDBRANCH  12  23
TORSDOF 3