REMARK  Name = BDB014509
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.135  -4.060  -1.724  0.00  0.00    -0.272 OA
ATOM      2  C   LIG    1        0.600  -3.010  -1.371  0.00  0.00    +0.251 C 
ATOM      3  N   LIG    1        0.654  -2.552  -0.075  0.00  0.00    -0.310 N 
ATOM      4  H   LIG    1        0.202  -1.662   0.108  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        1.376  -3.229   0.984  0.00  0.00    +0.136 C 
BRANCH   5   6
ATOM      6  C   LIG    1        2.912  -3.084   0.934  0.00  0.00    +0.145 C 
BRANCH   6   7
ATOM      7  O   LIG    1        3.447  -3.240  -0.385  0.00  0.00    -0.389 OA
ATOM      8  H   LIG    1        2.847  -3.841  -0.876  0.00  0.00    +0.210 HD
ENDBRANCH   6   7
BRANCH   6   9
ATOM      9  C   LIG    1        3.511  -1.826   1.623  0.00  0.00    +0.117 C 
BRANCH   9  10
ATOM     10  N   LIG    1        3.189  -0.454   1.208  0.00  0.00    -0.295 NA
ATOM     11  C   LIG    1        3.267  -0.240  -0.242  0.00  0.00    +0.120 C 
ATOM     12  C   LIG    1        2.869   1.154  -0.687  0.00  0.00    -0.030 A 
ATOM     13  C   LIG    1        2.183   2.027   0.174  0.00  0.00    -0.042 A 
ATOM     14  C   LIG    1        1.779   3.286  -0.286  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1        2.038   3.672  -1.601  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1        2.710   2.807  -2.461  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        1.942   1.629   1.606  0.00  0.00    +0.051 C 
ATOM     18  C   LIG    1        3.120   1.553  -2.009  0.00  0.00    +0.005 A 
ATOM     19  C   LIG    1        1.980   0.107   1.800  0.00  0.00    +0.089 C 
ENDBRANCH   9  10
ENDBRANCH   6   9
ENDBRANCH   5   6
ENDBRANCH   3   5
BRANCH   2  20
ATOM     20  C   LIG    1       -0.100  -2.062  -2.348  0.00  0.00    +0.324 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -0.924  -1.089  -1.720  0.00  0.00    -0.482 OA
BRANCH  21  22
ATOM     22  C   LIG    1       -2.180  -1.438  -1.299  0.00  0.00    +0.125 A 
ATOM     23  C   LIG    1       -2.883  -0.452  -0.575  0.00  0.00    -0.003 A 
ATOM     24  C   LIG    1       -4.199  -0.730  -0.156  0.00  0.00    +0.007 A 
ATOM     25  C   LIG    1       -4.791  -1.964  -0.416  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1       -4.080  -2.939  -1.104  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1       -2.780  -2.679  -1.544  0.00  0.00    +0.046 A 
BRANCH  23  28
ATOM     28  C   LIG    1       -2.256   0.901  -0.247  0.00  0.00    +0.025 C 
ATOM     29  C   LIG    1       -2.244   1.203   1.270  0.00  0.00    +0.023 C 
ATOM     30  C   LIG    1       -2.631   2.647   1.590  0.00  0.00    +0.081 C 
ATOM     31  N   LIG    1       -1.944   3.577   0.706  0.00  0.00    -0.316 NA
ATOM     32  H   LIG    1       -2.141   4.540   0.976  0.00  0.00    +0.122 HD
ATOM     33  C   LIG    1       -2.277   3.383  -0.707  0.00  0.00    +0.081 C 
ATOM     34  C   LIG    1       -2.925   2.034  -1.034  0.00  0.00    +0.023 C 
ENDBRANCH  23  28
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   2  20
TORSDOF 9