REMARK  Name = BDB008614
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.312  -1.393  -1.831  0.00  0.00    +0.124 C 
ATOM      2  C   LIG    1       -1.775  -1.058  -3.253  0.00  0.00    +0.035 C 
ENDROOT
BRANCH   1   9
ATOM      3  N   LIG    1        2.043  -0.514  -0.906  0.00  0.00    -0.263 N 
ATOM      4  C   LIG    1        2.410  -1.528  -1.753  0.00  0.00    +0.069 A 
ATOM      5  C   LIG    1        1.211  -2.031  -2.255  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1        1.250  -3.107  -3.163  0.00  0.00    +0.012 A 
ATOM      7  C   LIG    1        2.489  -3.639  -3.539  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1        3.673  -3.117  -3.025  0.00  0.00    +0.002 A 
ATOM      9  C   LIG    1        0.189  -1.243  -1.643  0.00  0.00    +0.091 A 
ATOM     10  C   LIG    1        3.658  -2.051  -2.120  0.00  0.00    +0.028 A 
ATOM     11  N   LIG    1        0.715  -0.347  -0.791  0.00  0.00    -0.173 NA
BRANCH   3  12
ATOM     12  C   LIG    1        2.919   0.329  -0.109  0.00  0.00    +0.146 C 
BRANCH  12  13
ATOM     13  C   LIG    1        3.059  -0.205   1.314  0.00  0.00    +0.051 C 
BRANCH  13  14
ATOM     14  C   LIG    1        3.989   0.663   2.155  0.00  0.00    +0.161 C 
BRANCH  14  16
ATOM     15  C   LIG    1        2.478   2.306   2.981  0.00  0.00    +0.193 C 
ATOM     16  O   LIG    1        3.606   2.035   2.157  0.00  0.00    -0.383 OA
ENDBRANCH  14  16
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH   3  12
ENDBRANCH   1   9
BRANCH   1  17
ATOM     17  N   LIG    1       -2.051  -0.683  -0.760  0.00  0.00    -0.288 N 
ATOM     18  C   LIG    1       -2.214   0.709  -0.840  0.00  0.00    +0.246 C 
ATOM     19  O   LIG    1       -1.903   1.363  -1.840  0.00  0.00    -0.273 OA
BRANCH  18  20
ATOM     20  C   LIG    1       -2.796   1.431   0.392  0.00  0.00    +0.217 C 
ATOM     21  O   LIG    1       -3.815   2.367  -0.010  0.00  0.00    -0.365 OA
ATOM     22  C   LIG    1       -4.287   3.110   1.120  0.00  0.00    +0.176 C 
ATOM     23  C   LIG    1       -3.144   3.872   1.806  0.00  0.00    +0.109 C 
ATOM     24  N   LIG    1       -2.066   2.967   2.245  0.00  0.00    -0.311 NA
ATOM     25  H   LIG    1       -1.279   3.528   2.569  0.00  0.00    +0.122 HD
ATOM     26  C   LIG    1       -1.625   2.168   1.078  0.00  0.00    +0.122 C 
ENDBRANCH  18  20
BRANCH  17  27
ATOM     27  C   LIG    1       -2.528  -1.473   0.357  0.00  0.00    +0.077 C 
ATOM     28  C   LIG    1       -1.831  -1.434   1.696  0.00  0.00    +0.024 C 
ATOM     29  C   LIG    1       -1.821  -2.695   0.896  0.00  0.00    +0.024 C 
ENDBRANCH  17  27
ENDBRANCH   1  17
TORSDOF 8