REMARK  Name = BDB015767
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.757   0.323   0.467  0.00  0.00    +0.126 A 
ATOM      2  N   LIG    1        1.322   1.464  -0.075  0.00  0.00    -0.180 NA
ATOM      3  C   LIG    1        0.014   1.536  -0.349  0.00  0.00    +0.326 A 
ATOM      4  N   LIG    1       -0.888   0.573  -0.109  0.00  0.00    -0.194 NA
ATOM      5  C   LIG    1       -0.423  -0.560   0.449  0.00  0.00    +0.081 A 
ATOM      6  C   LIG    1        0.911  -0.726   0.762  0.00  0.00    +0.072 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -1.424  -1.623   0.725  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -2.680  -1.258   1.049  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -3.678  -2.183   1.325  0.00  0.00    -0.318 N 
ATOM     10  C   LIG    1       -5.000  -1.689   1.674  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -3.453  -3.555   1.284  0.00  0.00    +0.251 A 
ATOM     12  O   LIG    1       -4.289  -4.420   1.531  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1       -2.079  -3.968   0.900  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1       -1.140  -3.049   0.639  0.00  0.00    +0.017 A 
ENDBRANCH   5   7
BRANCH   1  15
ATOM     15  N   LIG    1        3.124   0.276   0.758  0.00  0.00    -0.329 N 
ATOM     16  H   LIG    1        3.474   1.185   0.451  0.00  0.00    +0.147 HD
BRANCH  15  17
ATOM     17  C   LIG    1        3.843  -0.810   0.092  0.00  0.00    +0.103 C 
BRANCH  17  18
ATOM     18  C   LIG    1        5.339  -0.670   0.380  0.00  0.00    +0.018 C 
BRANCH  18  20
ATOM     19  C   LIG    1        7.628  -1.651  -0.002  0.00  0.00    +0.004 C 
ATOM     20  C   LIG    1        6.141  -1.788  -0.286  0.00  0.00    -0.002 C 
ENDBRANCH  18  20
ENDBRANCH  17  18
ENDBRANCH  15  17
ENDBRANCH   1  15
BRANCH   3  21
ATOM     21  O   LIG    1       -0.395   2.728  -0.940  0.00  0.00    -0.422 OA
BRANCH  21  22
ATOM     22  C   LIG    1       -1.740   2.834  -1.221  0.00  0.00    +0.152 A 
ATOM     23  C   LIG    1       -2.269   2.289  -2.401  0.00  0.00    +0.094 A 
ATOM     24  C   LIG    1       -3.635   2.430  -2.671  0.00  0.00    +0.022 A 
ATOM     25  C   LIG    1       -4.459   3.120  -1.780  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1       -3.923   3.680  -0.620  0.00  0.00    +0.007 A 
ATOM     27  C   LIG    1       -2.557   3.558  -0.333  0.00  0.00    -0.007 A 
ATOM     28  C   LIG    1       -1.996   4.160   0.924  0.00  0.00    +0.047 C 
BRANCH  23  29
ATOM     29  C   LIG    1       -1.440   1.589  -3.339  0.00  0.00    +0.103 C 
ATOM     30  N   LIG    1       -0.783   1.021  -4.109  0.00  0.00    -0.191 NA
ENDBRANCH  23  29
ENDBRANCH  21  22
ENDBRANCH   3  21
TORSDOF 8