REMARK  Name = BDB012377
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.313  -0.219  -1.891  0.00  0.00    +0.220 A 
ATOM      2  N   LIG    1        1.417  -0.842  -1.301  0.00  0.00    -0.182 N 
ATOM      3  N   LIG    1        1.499  -2.158  -1.667  0.00  0.00    -0.170 NA
ATOM      4  C   LIG    1        0.453  -2.351  -2.466  0.00  0.00    +0.138 A 
ATOM      5  C   LIG    1       -0.315  -1.194  -2.641  0.00  0.00    +0.088 A 
ENDROOT
BRANCH   2   6
ATOM      6  C   LIG    1        2.380  -0.271  -0.402  0.00  0.00    +0.158 A 
ATOM      7  N   LIG    1        2.251   1.030  -0.020  0.00  0.00    -0.236 NA
ATOM      8  C   LIG    1        3.171   1.540   0.824  0.00  0.00    +0.114 A 
ATOM      9  C   LIG    1        4.233   0.816   1.328  0.00  0.00    +0.035 A 
ATOM     10  C   LIG    1        4.355  -0.516   0.937  0.00  0.00    +0.064 A 
ATOM     11  C   LIG    1        3.420  -1.073   0.061  0.00  0.00    +0.063 A 
BRANCH  10  12
ATOM     12  C   LIG    1        5.460  -1.373   1.424  0.00  0.00    +0.337 C 
ATOM     13  O   LIG    1        5.641  -2.541   1.134  0.00  0.00    -0.245 OA
BRANCH  12  14
ATOM     14  O   LIG    1        6.290  -0.724   2.259  0.00  0.00    -0.477 OA
ATOM     15  H   LIG    1        6.959  -1.402   2.495  0.00  0.00    +0.295 HD
ENDBRANCH  12  14
ENDBRANCH  10  12
ENDBRANCH   2   6
BRANCH   1  16
ATOM     16  O   LIG    1        0.055   1.079  -1.688  0.00  0.00    -0.471 OA
BRANCH  16  17
ATOM     17  C   LIG    1       -1.279   1.531  -1.925  0.00  0.00    +0.267 C 
BRANCH  17  22
ATOM     18  C   LIG    1       -4.696   0.388   2.677  0.00  0.00    +0.044 C 
ATOM     19  C   LIG    1       -3.817   0.649   1.490  0.00  0.00    -0.049 A 
ATOM     20  C   LIG    1       -4.249   0.321   0.199  0.00  0.00    +0.022 A 
ATOM     21  C   LIG    1       -3.444   0.587  -0.921  0.00  0.00    +0.058 A 
ATOM     22  C   LIG    1       -2.189   1.198  -0.758  0.00  0.00    +0.007 A 
ATOM     23  C   LIG    1       -1.772   1.540   0.541  0.00  0.00    +0.008 A 
ATOM     24  C   LIG    1       -2.576   1.271   1.650  0.00  0.00    +0.004 A 
BRANCH  21  25
ATOM     25  C   LIG    1       -3.938   0.212  -2.216  0.00  0.00    +0.100 C 
ATOM     26  N   LIG    1       -4.315  -0.093  -3.270  0.00  0.00    -0.191 NA
ENDBRANCH  21  25
ENDBRANCH  17  22
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 7