REMARK  Name = BDB007802
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.750   0.792  -1.080  0.00  0.00    +0.244 C 
ATOM      2  N   LIG    1        0.009   1.826  -1.610  0.00  0.00    -0.309 N 
ATOM      3  H   LIG    1        0.450   2.718  -1.791  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1        0.356  -0.366  -1.020  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   9
ATOM      5  C   LIG    1        3.714   2.611   0.333  0.00  0.00    +0.217 A 
ATOM      6  N   LIG    1        4.668   1.657   0.354  0.00  0.00    -0.198 NA
ATOM      7  C   LIG    1        4.338   0.425  -0.076  0.00  0.00    +0.123 A 
ATOM      8  C   LIG    1        3.072   0.127  -0.551  0.00  0.00    +0.056 A 
ATOM      9  C   LIG    1        2.105   1.135  -0.578  0.00  0.00    +0.045 A 
ATOM     10  C   LIG    1        2.425   2.405  -0.115  0.00  0.00    +0.080 A 
BRANCH   5  12
ATOM     11  C   LIG    1        5.347   4.031   1.227  0.00  0.00    +0.279 C 
ATOM     12  O   LIG    1        4.001   3.885   0.783  0.00  0.00    -0.480 OA
ENDBRANCH   5  12
BRANCH   7  13
ATOM     13  N   LIG    1        5.365  -0.523  -0.035  0.00  0.00    -0.326 N 
ATOM     14  H   LIG    1        6.150  -0.103   0.456  0.00  0.00    +0.148 HD
BRANCH  13  15
ATOM     15  C   LIG    1        5.205  -1.938   0.113  0.00  0.00    +0.072 C 
ATOM     16  C   LIG    1        4.882  -2.366   1.563  0.00  0.00    +0.022 C 
ATOM     17  C   LIG    1        6.394  -2.556   1.797  0.00  0.00    +0.004 C 
ATOM     18  C   LIG    1        6.561  -2.665   0.268  0.00  0.00    +0.022 C 
ENDBRANCH  13  15
ENDBRANCH   7  13
ENDBRANCH   1   9
BRANCH   2  19
ATOM     19  C   LIG    1       -1.293   1.612  -2.241  0.00  0.00    +0.137 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.475   1.871  -1.288  0.00  0.00    +0.145 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -2.188   3.029  -0.486  0.00  0.00    -0.389 OA
ATOM     22  H   LIG    1       -1.359   2.818  -0.020  0.00  0.00    +0.210 HD
ENDBRANCH  20  21
BRANCH  20  23
ATOM     23  C   LIG    1       -2.813   0.674  -0.373  0.00  0.00    +0.117 C 
BRANCH  23  24
ATOM     24  N   LIG    1       -3.331  -0.488  -1.116  0.00  0.00    -0.295 NA
ATOM     25  C   LIG    1       -4.777  -0.388  -1.390  0.00  0.00    +0.120 C 
ATOM     26  C   LIG    1       -5.680  -0.710  -0.216  0.00  0.00    -0.030 A 
ATOM     27  C   LIG    1       -5.213  -1.473   0.870  0.00  0.00    -0.042 A 
ATOM     28  C   LIG    1       -6.080  -1.783   1.926  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1       -7.408  -1.359   1.896  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -7.879  -0.619   0.814  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -3.769  -1.902   0.929  0.00  0.00    +0.051 C 
ATOM     32  C   LIG    1       -7.021  -0.298  -0.239  0.00  0.00    +0.005 A 
ATOM     33  C   LIG    1       -3.055  -1.757  -0.422  0.00  0.00    +0.089 C 
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH  19  20
ENDBRANCH   2  19
TORSDOF 9