REMARK  Name = BDB031748
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.959   1.576   1.952  0.00  0.00    -0.041 A 
ATOM      2  C   LIG    1       -0.743   1.940   0.609  0.00  0.00    +0.031 A 
ATOM      3  C   LIG    1        0.433   1.517  -0.021  0.00  0.00    +0.068 A 
ATOM      4  C   LIG    1        1.411   0.768   0.616  0.00  0.00    +0.041 A 
ATOM      5  C   LIG    1        2.424   0.553  -0.373  0.00  0.00    +0.154 A 
ATOM      6  N   LIG    1        2.091   1.134  -1.530  0.00  0.00    -0.157 NA
ATOM      7  C   LIG    1        1.215   0.421   1.966  0.00  0.00    +0.014 A 
ATOM      8  N   LIG    1        0.895   1.691  -1.294  0.00  0.00    -0.275 N 
ATOM      9  H   LIG    1        0.438   2.183  -2.052  0.00  0.00    +0.189 HD
ATOM     10  C   LIG    1        0.037   0.835   2.610  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   1  15
ATOM     11  C   LIG    1       -3.821  -1.179  -0.508  0.00  0.00    +0.120 A 
ATOM     12  C   LIG    1       -3.268  -0.518   0.599  0.00  0.00    +0.052 A 
ATOM     13  C   LIG    1       -3.895   0.612   1.103  0.00  0.00    -0.007 A 
ATOM     14  C   LIG    1       -3.593   1.540   2.246  0.00  0.00    +0.081 C 
ATOM     15  C   LIG    1       -2.216   2.012   2.669  0.00  0.00    +0.040 C 
ATOM     16  C   LIG    1       -4.743   2.520   2.235  0.00  0.00    +0.228 C 
ATOM     17  N   LIG    1       -5.563   2.174   1.175  0.00  0.00    -0.284 N 
ATOM     18  H   LIG    1       -6.410   2.674   0.956  0.00  0.00    +0.155 HD
ATOM     19  O   LIG    1       -4.896   3.439   3.021  0.00  0.00    -0.274 OA
ATOM     20  C   LIG    1       -2.998   1.040   3.531  0.00  0.00    +0.031 C 
ATOM     21  C   LIG    1       -5.082   1.050   0.499  0.00  0.00    +0.038 A 
ATOM     22  C   LIG    1       -5.657   0.425  -0.586  0.00  0.00    +0.027 A 
ATOM     23  C   LIG    1       -5.009  -0.706  -1.095  0.00  0.00    +0.047 A 
BRANCH  11  25
ATOM     24  C   LIG    1       -3.594  -2.970  -2.062  0.00  0.00    +0.277 C 
ATOM     25  O   LIG    1       -3.110  -2.275  -0.919  0.00  0.00    -0.495 OA
ENDBRANCH  11  25
ENDBRANCH   1  15
BRANCH   5  26
ATOM     26  N   LIG    1        3.537  -0.184  -0.108  0.00  0.00    -0.280 N 
ATOM     27  H   LIG    1        3.451  -0.795   0.702  0.00  0.00    +0.155 HD
BRANCH  26  28
ATOM     28  C   LIG    1        4.557  -0.549  -0.937  0.00  0.00    +0.165 A 
ATOM     29  N   LIG    1        5.117   0.195  -1.954  0.00  0.00    -0.250 N 
ATOM     30  C   LIG    1        4.900   1.581  -2.293  0.00  0.00    +0.174 C 
ATOM     31  N   LIG    1        6.112  -0.460  -2.612  0.00  0.00    -0.174 NA
ATOM     32  C   LIG    1        6.215  -1.618  -1.959  0.00  0.00    +0.182 A 
ATOM     33  C   LIG    1        5.296  -1.714  -0.899  0.00  0.00    +0.179 A 
BRANCH  33  34
ATOM     34  O   LIG    1        5.061  -2.681   0.020  0.00  0.00    -0.490 OA
ATOM     35  C   LIG    1        5.891  -3.826  -0.128  0.00  0.00    +0.277 C 
ENDBRANCH  33  34
ENDBRANCH  26  28
ENDBRANCH   5  26
TORSDOF 5