REMARK  Name = BDB018943
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.211   0.256  -1.034  0.00  0.00    -0.300 N 
ATOM      2  C   LIG    1        1.087   0.234  -0.467  0.00  0.00    +0.037 A 
ATOM      3  C   LIG    1        2.199  -0.224  -1.203  0.00  0.00    -0.025 A 
ATOM      4  C   LIG    1        3.484  -0.247  -0.623  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1        3.697   0.189   0.689  0.00  0.00    -0.015 A 
ATOM      6  C   LIG    1        2.598   0.639   1.422  0.00  0.00    +0.010 A 
ATOM      7  C   LIG    1        2.042  -0.751  -2.606  0.00  0.00    +0.038 C 
ATOM      8  C   LIG    1        0.720  -0.331  -3.224  0.00  0.00    +0.024 C 
ATOM      9  C   LIG    1        1.318   0.653   0.854  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1       -0.408  -0.574  -2.232  0.00  0.00    +0.111 C 
ENDROOT
BRANCH   1  16
ATOM     11  C   LIG    1       -5.100   0.312   0.357  0.00  0.00    +0.062 A 
ATOM     12  C   LIG    1       -3.751   0.758   0.123  0.00  0.00    +0.014 A 
ATOM     13  C   LIG    1       -3.666   2.091   0.522  0.00  0.00    +0.047 A 
ATOM     14  C   LIG    1       -2.489   2.838   0.425  0.00  0.00    +0.028 A 
ATOM     15  C   LIG    1       -1.358   2.198  -0.097  0.00  0.00    +0.025 A 
ATOM     16  C   LIG    1       -1.378   0.858  -0.508  0.00  0.00    +0.035 A 
ATOM     17  N   LIG    1       -4.904   2.452   0.992  0.00  0.00    -0.360 N 
ATOM     18  H   LIG    1       -5.130   3.367   1.358  0.00  0.00    +0.165 HD
ATOM     19  C   LIG    1       -2.586   0.145  -0.395  0.00  0.00    +0.034 A 
ATOM     20  C   LIG    1       -5.773   1.396   0.903  0.00  0.00    +0.096 A 
BRANCH  11  24
ATOM     21  C   LIG    1       -7.674  -2.383  -0.085  0.00  0.00    +0.128 C 
ATOM     22  N   LIG    1       -7.000  -1.159   0.261  0.00  0.00    -0.314 N 
ATOM     23  H   LIG    1       -7.554  -0.326   0.391  0.00  0.00    +0.149 HD
ATOM     24  C   LIG    1       -5.638  -1.023   0.079  0.00  0.00    +0.246 C 
ATOM     25  O   LIG    1       -4.936  -1.953  -0.307  0.00  0.00    -0.270 OA
ENDBRANCH  11  24
ENDBRANCH   1  16
BRANCH   5  26
ATOM     26  C   LIG    1        5.021   0.178   1.286  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1        6.036  -0.701   0.967  0.00  0.00    +0.116 A 
ATOM     28  N   LIG    1        7.093  -0.377   1.768  0.00  0.00    -0.274 N 
ATOM     29  C   LIG    1        8.384  -1.019   1.805  0.00  0.00    +0.172 C 
ATOM     30  N   LIG    1        6.845   0.656   2.592  0.00  0.00    -0.179 NA
ATOM     31  C   LIG    1        5.584   0.989   2.300  0.00  0.00    +0.142 A 
ENDBRANCH   5  26
TORSDOF 3