REMARK  Name = BDB013750
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.168  -1.639   1.717  0.00  0.00    +0.030 C 
ATOM      2  C   LIG    1        0.235  -1.374   0.211  0.00  0.00    +0.090 C 
ENDROOT
BRANCH   2   3
ATOM      3  N   LIG    1        0.758  -0.022  -0.014  0.00  0.00    -0.322 N 
ATOM      4  H   LIG    1        0.156   0.731   0.323  0.00  0.00    +0.148 HD
BRANCH   3   5
ATOM      5  C   LIG    1        2.103   0.293   0.030  0.00  0.00    +0.166 A 
ATOM      6  C   LIG    1        2.447   1.716   0.286  0.00  0.00    +0.117 A 
ATOM      7  C   LIG    1        3.771   2.082   0.310  0.00  0.00    +0.070 A 
ATOM      8  C   LIG    1        4.075   3.421   0.552  0.00  0.00    +0.017 A 
ATOM      9  C   LIG    1        3.035   4.327   0.763  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1        1.728   3.859   0.724  0.00  0.00    +0.111 A 
ATOM     11  C   LIG    1        4.799   1.063   0.091  0.00  0.00    +0.276 A 
ATOM     12  O   LIG    1        5.979   1.406   0.090  0.00  0.00    -0.266 OA
ATOM     13  N   LIG    1        4.351  -0.241  -0.097  0.00  0.00    -0.230 N 
ATOM     14  C   LIG    1        5.302  -1.310  -0.338  0.00  0.00    +0.176 C 
ATOM     15  N   LIG    1        1.400   2.569   0.492  0.00  0.00    -0.251 NA
ATOM     16  N   LIG    1        3.026  -0.609  -0.146  0.00  0.00    -0.151 NA
ENDBRANCH   3   5
ENDBRANCH   2   3
BRANCH   2  17
ATOM     17  C   LIG    1       -1.138  -1.583  -0.555  0.00  0.00    +0.106 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -2.164  -0.517  -0.126  0.00  0.00    -0.028 A 
ATOM     19  C   LIG    1       -2.949  -0.671   1.029  0.00  0.00    +0.006 A 
ATOM     20  C   LIG    1       -3.863   0.315   1.408  0.00  0.00    +0.015 A 
ATOM     21  C   LIG    1       -4.008   1.474   0.638  0.00  0.00    +0.059 A 
ATOM     22  C   LIG    1       -3.234   1.638  -0.515  0.00  0.00    +0.015 A 
ATOM     23  C   LIG    1       -2.322   0.649  -0.895  0.00  0.00    +0.006 A 
BRANCH  21  24
ATOM     24  C   LIG    1       -4.989   2.494   1.081  0.00  0.00    +0.337 C 
ATOM     25  O   LIG    1       -5.695   2.425   2.070  0.00  0.00    -0.245 OA
BRANCH  24  26
ATOM     26  O   LIG    1       -5.042   3.560   0.262  0.00  0.00    -0.477 OA
ATOM     27  H   LIG    1       -5.723   4.133   0.671  0.00  0.00    +0.295 HD
ENDBRANCH  24  26
ENDBRANCH  21  24
ENDBRANCH  17  18
BRANCH  17  28
ATOM     28  N   LIG    1       -1.722  -2.963  -0.485  0.00  0.00    -0.300 NA
ATOM     29  C   LIG    1       -2.849  -3.106  -1.422  0.00  0.00    +0.105 C 
ATOM     30  C   LIG    1       -0.734  -4.003  -0.798  0.00  0.00    +0.105 C 
ENDBRANCH  17  28
ENDBRANCH   2  17
TORSDOF 7