REMARK  Name = BDB015114
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.865  -1.171  -1.131  0.00  0.00    -0.014 A 
ATOM      2  C   LIG    1       -2.578  -0.804  -0.705  0.00  0.00    +0.054 A 
ATOM      3  C   LIG    1       -1.447  -1.388  -1.276  0.00  0.00    +0.121 A 
ATOM      4  C   LIG    1       -1.569  -2.374  -2.252  0.00  0.00    +0.045 A 
ATOM      5  C   LIG    1       -2.837  -2.755  -2.684  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1       -3.974  -2.156  -2.130  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  13
ATOM      7  O   LIG    1       -6.246  -0.121   3.718  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1       -6.838   0.254   2.726  0.00  0.00    +0.245 C 
ATOM      9  C   LIG    1       -6.400   0.087   1.335  0.00  0.00    +0.042 A 
ATOM     10  C   LIG    1       -7.365   0.667   0.511  0.00  0.00    -0.018 A 
ATOM     11  C   LIG    1       -7.203   0.651  -0.861  0.00  0.00    +0.006 A 
ATOM     12  C   LIG    1       -6.053   0.041  -1.382  0.00  0.00    +0.009 A 
ATOM     13  C   LIG    1       -5.065  -0.546  -0.546  0.00  0.00    -0.017 A 
ATOM     14  C   LIG    1       -8.469   1.235   1.339  0.00  0.00    +0.140 C 
ATOM     15  C   LIG    1       -5.254  -0.515   0.846  0.00  0.00    +0.022 A 
ATOM     16  N   LIG    1       -8.044   0.920   2.682  0.00  0.00    -0.307 N 
ATOM     17  H   LIG    1       -8.538   1.164   3.531  0.00  0.00    +0.149 HD
ENDBRANCH   1  13
BRANCH   3  18
ATOM     18  O   LIG    1       -0.219  -1.021  -0.799  0.00  0.00    -0.489 OA
BRANCH  18  19
ATOM     19  C   LIG    1        0.490  -0.227  -1.764  0.00  0.00    +0.261 C 
BRANCH  19  20
ATOM     20  C   LIG    1        1.734   0.407  -1.123  0.00  0.00    +0.166 C 
BRANCH  20  21
ATOM     21  O   LIG    1        1.344   1.458  -0.226  0.00  0.00    -0.387 OA
ATOM     22  H   LIG    1        2.081   1.527   0.417  0.00  0.00    +0.210 HD
ENDBRANCH  20  21
BRANCH  20  23
ATOM     23  C   LIG    1        2.600  -0.617  -0.354  0.00  0.00    +0.119 C 
BRANCH  23  24
ATOM     24  N   LIG    1        3.735   0.032   0.351  0.00  0.00    -0.295 NA
ATOM     25  C   LIG    1        4.757   0.517  -0.603  0.00  0.00    +0.120 C 
ATOM     26  C   LIG    1        6.041   0.984   0.052  0.00  0.00    -0.030 A 
ATOM     27  C   LIG    1        6.373   0.592   1.361  0.00  0.00    -0.042 A 
ATOM     28  C   LIG    1        7.583   1.012   1.930  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1        8.473   1.795   1.193  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        8.156   2.172  -0.111  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        5.397  -0.224   2.170  0.00  0.00    +0.051 C 
ATOM     32  C   LIG    1        6.947   1.769  -0.680  0.00  0.00    +0.005 A 
ATOM     33  C   LIG    1        4.358  -0.926   1.287  0.00  0.00    +0.089 C 
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   3  18
TORSDOF 7