REMARK  Name = BDB001887
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.683   0.098  -0.415  0.00  0.00    +0.092 A 
ATOM      2  C   LIG    1       -1.632   0.069   0.975  0.00  0.00    +0.061 A 
ATOM      3  N   LIG    1       -0.329   0.365   1.377  0.00  0.00    -0.315 N 
ATOM      4  C   LIG    1        0.059   0.418   2.721  0.00  0.00    +0.092 A 
ATOM      5  C   LIG    1       -0.840   0.179   3.688  0.00  0.00    +0.018 A 
ATOM      6  C   LIG    1       -2.203  -0.132   3.308  0.00  0.00    +0.003 A 
ATOM      7  C   LIG    1        0.460   0.578   0.258  0.00  0.00    +0.058 A 
ATOM      8  C   LIG    1        1.825   0.901   0.150  0.00  0.00    +0.072 A 
ATOM      9  C   LIG    1        2.368   1.041  -1.126  0.00  0.00    +0.123 A 
ATOM     10  C   LIG    1        1.582   0.919  -2.264  0.00  0.00    +0.046 A 
ATOM     11  C   LIG    1        0.225   0.603  -2.145  0.00  0.00    +0.014 A 
ATOM     12  C   LIG    1       -2.582  -0.185   2.017  0.00  0.00    +0.027 A 
ATOM     13  C   LIG    1       -0.355   0.420  -0.866  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  14
ATOM     14  C   LIG    1       -2.837  -0.147  -1.282  0.00  0.00    +0.342 C 
ATOM     15  O   LIG    1       -2.772  -0.135  -2.507  0.00  0.00    -0.245 OA
BRANCH  14  16
ATOM     16  O   LIG    1       -3.994  -0.390  -0.600  0.00  0.00    -0.461 OA
BRANCH  16  18
ATOM     17  C   LIG    1       -6.330  -0.877  -0.530  0.00  0.00    +0.048 C 
ATOM     18  C   LIG    1       -5.136  -0.627  -1.431  0.00  0.00    +0.229 C 
ENDBRANCH  16  18
ENDBRANCH  14  16
ENDBRANCH   1  14
BRANCH   9  19
ATOM     19  O   LIG    1        3.691   1.371  -1.249  0.00  0.00    -0.483 OA
BRANCH  19  20
ATOM     20  C   LIG    1        4.487   0.208  -1.457  0.00  0.00    +0.325 C 
BRANCH  20  21
ATOM     21  C   LIG    1        4.964  -0.490  -0.178  0.00  0.00    +0.264 C 
ATOM     22  N   LIG    1        5.496  -1.758  -0.416  0.00  0.00    -0.251 N 
ATOM     23  H   LIG    1        5.384  -2.208  -1.322  0.00  0.00    +0.169 HD
ATOM     24  O   LIG    1        4.912   0.002   0.948  0.00  0.00    -0.271 OA
BRANCH  22  25
ATOM     25  N   LIG    1        5.904  -2.552   0.680  0.00  0.00    -0.254 NA
ATOM     26  H   LIG    1        5.264  -2.343   1.458  0.00  0.00    +0.140 HD
ATOM     27  H   LIG    1        6.798  -2.174   1.014  0.00  0.00    +0.140 HD
ENDBRANCH  22  25
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH   9  19
TORSDOF 7