REMARK  Name = BDB014497
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.214  -2.902  -0.196  0.00  0.00    -0.272 OA
ATOM      2  C   LIG    1       -1.005  -2.003   0.080  0.00  0.00    +0.251 C 
ATOM      3  N   LIG    1       -0.970  -0.762  -0.516  0.00  0.00    -0.310 N 
ATOM      4  H   LIG    1       -1.534  -0.033  -0.091  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        0.102  -0.373  -1.413  0.00  0.00    +0.136 C 
BRANCH   5   6
ATOM      6  C   LIG    1        1.341   0.116  -0.639  0.00  0.00    +0.145 C 
BRANCH   6   7
ATOM      7  O   LIG    1        0.981   1.309   0.079  0.00  0.00    -0.389 OA
ATOM      8  H   LIG    1        0.869   2.023  -0.571  0.00  0.00    +0.210 HD
ENDBRANCH   6   7
BRANCH   6   9
ATOM      9  C   LIG    1        2.509   0.385  -1.621  0.00  0.00    +0.117 C 
BRANCH   9  10
ATOM     10  N   LIG    1        3.848   0.659  -1.071  0.00  0.00    -0.295 NA
ATOM     11  C   LIG    1        4.446  -0.531  -0.440  0.00  0.00    +0.120 C 
ATOM     12  C   LIG    1        5.819  -0.271   0.146  0.00  0.00    -0.030 A 
ATOM     13  C   LIG    1        6.236   1.036   0.457  0.00  0.00    -0.042 A 
ATOM     14  C   LIG    1        7.498   1.248   1.027  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1        8.333   0.168   1.311  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1        7.916  -1.130   1.024  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        5.349   2.208   0.117  0.00  0.00    +0.051 C 
ATOM     18  C   LIG    1        6.665  -1.350   0.447  0.00  0.00    +0.005 A 
ATOM     19  C   LIG    1        3.893   1.792  -0.140  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       -2.093  -2.171   1.147  0.00  0.00    +0.324 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -3.082  -1.151   1.179  0.00  0.00    -0.482 OA
BRANCH  21  22
ATOM     22  C   LIG    1       -4.114  -1.204   0.277  0.00  0.00    +0.125 A 
ATOM     23  C   LIG    1       -5.087  -0.195   0.411  0.00  0.00    -0.000 A 
ATOM     24  C   LIG    1       -4.957   0.867   1.482  0.00  0.00    +0.054 C 
ATOM     25  C   LIG    1       -6.255   1.651   1.704  0.00  0.00    +0.086 C 
ATOM     26  N   LIG    1       -6.823   2.096   0.431  0.00  0.00    -0.312 NA
ATOM     27  H   LIG    1       -7.642   2.675   0.608  0.00  0.00    +0.122 HD
ATOM     28  C   LIG    1       -7.234   0.934  -0.364  0.00  0.00    +0.116 C 
ATOM     29  C   LIG    1       -6.164  -0.125  -0.497  0.00  0.00    -0.027 A 
ATOM     30  C   LIG    1       -6.276  -1.091  -1.505  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1       -5.318  -2.094  -1.629  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1       -4.239  -2.149  -0.745  0.00  0.00    +0.046 A 
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   2  20
TORSDOF 8