REMARK  Name = BDB029601
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.801   1.000   0.281  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1        1.909  -0.015  -0.412  0.00  0.00    +0.250 C 
ATOM      3  N   LIG    1        0.869  -0.935  -0.466  0.00  0.00    -0.292 N 
ATOM      4  C   LIG    1        0.796  -2.008  -1.445  0.00  0.00    +0.149 C 
ATOM      5  C   LIG    1        1.108  -1.486  -2.836  0.00  0.00    +0.248 C 
ATOM      6  O   LIG    1        2.495  -1.599  -3.121  0.00  0.00    -0.488 OA
ATOM      7  C   LIG    1        3.379  -0.937  -2.330  0.00  0.00    +0.151 A 
ATOM      8  C   LIG    1        4.684  -0.996  -2.812  0.00  0.00    +0.159 A 
ATOM      9  N   LIG    1        5.765  -0.422  -2.233  0.00  0.00    -0.237 NA
ATOM     10  C   LIG    1        5.572   0.257  -1.092  0.00  0.00    +0.124 A 
ATOM     11  C   LIG    1        4.305   0.387  -0.545  0.00  0.00    +0.060 A 
ATOM     12  C   LIG    1        3.187  -0.229  -1.149  0.00  0.00    +0.083 A 
ENDROOT
BRANCH  10  13
ATOM     13  N   LIG    1        6.711   0.846  -0.549  0.00  0.00    -0.298 N 
ATOM     14  H   LIG    1        7.487   0.665  -1.180  0.00  0.00    +0.154 HD
BRANCH  13  15
ATOM     15  C   LIG    1        7.112   1.113   0.770  0.00  0.00    +0.054 A 
ATOM     16  C   LIG    1        8.194   1.957   1.004  0.00  0.00    +0.158 A 
ATOM     17  N   LIG    1        8.640   2.296   2.236  0.00  0.00    -0.156 NA
ATOM     18  N   LIG    1        8.004   1.804   3.323  0.00  0.00    -0.158 NA
ATOM     19  C   LIG    1        6.943   0.992   3.149  0.00  0.00    +0.137 A 
ATOM     20  C   LIG    1        6.467   0.627   1.901  0.00  0.00    +0.046 A 
ENDBRANCH  13  15
ENDBRANCH  10  13
BRANCH   3  21
ATOM     21  C   LIG    1       -0.324  -0.696   0.364  0.00  0.00    +0.140 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -1.356   0.218  -0.330  0.00  0.00    +0.146 C 
BRANCH  22  23
ATOM     23  O   LIG    1       -0.795   1.501  -0.652  0.00  0.00    -0.389 OA
ATOM     24  H   LIG    1        0.056   1.589  -0.170  0.00  0.00    +0.210 HD
ENDBRANCH  22  23
BRANCH  22  25
ATOM     25  C   LIG    1       -2.599   0.449   0.557  0.00  0.00    +0.117 C 
BRANCH  25  26
ATOM     26  N   LIG    1       -3.320  -0.779   0.947  0.00  0.00    -0.295 NA
ATOM     27  C   LIG    1       -4.348  -0.489   1.969  0.00  0.00    +0.120 C 
ATOM     28  C   LIG    1       -5.619   0.145   1.443  0.00  0.00    -0.030 A 
ATOM     29  C   LIG    1       -5.989   0.012   0.092  0.00  0.00    -0.042 A 
ATOM     30  C   LIG    1       -7.189   0.579  -0.360  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1       -8.027   1.254   0.526  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -7.672   1.373   1.868  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -5.071  -0.682  -0.882  0.00  0.00    +0.051 C 
ATOM     34  C   LIG    1       -6.476   0.818   2.326  0.00  0.00    +0.005 A 
ATOM     35  C   LIG    1       -3.960  -1.479  -0.181  0.00  0.00    +0.089 C 
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH  21  22
ENDBRANCH   3  21
TORSDOF 7