REMARK  Name = BDB012330
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.132  -1.228  -0.059  0.00  0.00    -0.182 N 
ATOM      2  C   LIG    1       -0.205  -1.286   0.344  0.00  0.00    +0.220 A 
ATOM      3  C   LIG    1       -0.779  -2.298  -0.401  0.00  0.00    +0.088 A 
ATOM      4  C   LIG    1        0.250  -2.802  -1.204  0.00  0.00    +0.138 A 
ATOM      5  N   LIG    1        1.408  -2.179  -1.006  0.00  0.00    -0.170 NA
ENDROOT
BRANCH   1   8
ATOM      6  C   LIG    1        4.429   0.429   0.298  0.00  0.00    +0.064 A 
ATOM      7  C   LIG    1        3.435  -0.445  -0.148  0.00  0.00    +0.063 A 
ATOM      8  C   LIG    1        2.159  -0.334   0.399  0.00  0.00    +0.158 A 
ATOM      9  N   LIG    1        1.862   0.594   1.349  0.00  0.00    -0.236 NA
ATOM     10  C   LIG    1        2.843   1.425   1.758  0.00  0.00    +0.114 A 
ATOM     11  C   LIG    1        4.131   1.383   1.268  0.00  0.00    +0.035 A 
BRANCH   6  13
ATOM     12  O   LIG    1        6.726   1.109   0.114  0.00  0.00    -0.245 OA
ATOM     13  C   LIG    1        5.812   0.382  -0.229  0.00  0.00    +0.337 C 
BRANCH  13  14
ATOM     14  O   LIG    1        5.986  -0.573  -1.158  0.00  0.00    -0.477 OA
ATOM     15  H   LIG    1        6.928  -0.491  -1.416  0.00  0.00    +0.295 HD
ENDBRANCH  13  14
ENDBRANCH   6  13
ENDBRANCH   1   8
BRANCH   2  16
ATOM     16  O   LIG    1       -0.691  -0.448   1.270  0.00  0.00    -0.471 OA
BRANCH  16  17
ATOM     17  C   LIG    1       -2.067  -0.577   1.630  0.00  0.00    +0.266 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -3.006   0.070   0.635  0.00  0.00    -0.007 A 
ATOM     19  C   LIG    1       -2.676   1.287   0.022  0.00  0.00    +0.052 A 
ATOM     20  C   LIG    1       -3.562   1.884  -0.869  0.00  0.00    +0.117 A 
ATOM     21  C   LIG    1       -4.788   1.294  -1.161  0.00  0.00    +0.045 A 
ATOM     22  C   LIG    1       -5.131   0.091  -0.545  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1       -4.249  -0.516   0.352  0.00  0.00    +0.007 A 
BRANCH  20  24
ATOM     24  O   LIG    1       -3.189   3.064  -1.442  0.00  0.00    -0.507 OA
ATOM     25  H   LIG    1       -3.893   3.351  -2.046  0.00  0.00    +0.292 HD
ENDBRANCH  20  24
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   2  16
TORSDOF 7