REMARK  Name = BDB056133
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.328  -0.033  -0.381  0.00  0.00    +0.194 C 
ENDROOT
BRANCH   1   3
ATOM      2  C   LIG    1       -1.760   1.138   0.072  0.00  0.00    +0.255 C 
ATOM      3  N   LIG    1       -1.115   0.253  -0.730  0.00  0.00    -0.203 NA
ATOM      4  O   LIG    1       -1.244   1.903   0.892  0.00  0.00    -0.272 OA
BRANCH   2   5
ATOM      5  C   LIG    1       -3.304   1.157  -0.208  0.00  0.00    +0.192 C 
BRANCH   5   7
ATOM      6  C   LIG    1       -5.451   1.267   0.931  0.00  0.00    +0.252 C 
ATOM      7  N   LIG    1       -4.111   1.425   1.054  0.00  0.00    -0.203 NA
ATOM      8  O   LIG    1       -6.053   1.004  -0.116  0.00  0.00    -0.272 OA
BRANCH   6   9
ATOM      9  C   LIG    1       -6.204   1.450   2.324  0.00  0.00    +0.169 C 
ATOM     10  C   LIG    1       -6.837   0.046   2.833  0.00  0.00    +0.022 C 
BRANCH   9  12
ATOM     11  C   LIG    1       -7.821   3.153   3.326  0.00  0.00    +0.108 C 
ATOM     12  N   LIG    1       -7.304   2.438   2.108  0.00  0.00    -0.214 NA
ENDBRANCH   9  12
ENDBRANCH   6   9
ENDBRANCH   5   7
BRANCH   5  13
ATOM     13  C   LIG    1       -3.497   2.235  -1.271  0.00  0.00    +0.023 C 
ATOM     14  C   LIG    1       -3.475   3.833  -1.065  0.00  0.00    +0.002 C 
ATOM     15  C   LIG    1       -3.992   1.964  -2.779  0.00  0.00    +0.002 C 
ENDBRANCH   5  13
ENDBRANCH   2   5
ENDBRANCH   1   3
BRANCH   1  16
ATOM     16  C   LIG    1        1.153  -0.816  -1.518  0.00  0.00    +0.275 C 
ATOM     17  N   LIG    1        2.475  -0.450  -1.510  0.00  0.00    -0.089 NA
ATOM     18  O   LIG    1        0.614  -1.671  -2.235  0.00  0.00    -0.270 OA
BRANCH  17  19
ATOM     19  N   LIG    1        3.429  -1.245  -2.392  0.00  0.00    -0.127 NA
BRANCH  19  20
ATOM     20  C   LIG    1        4.723  -0.831  -2.361  0.00  0.00    +0.072 A 
ATOM     21  C   LIG    1        5.674  -1.584  -3.067  0.00  0.00    +0.027 A 
ATOM     22  C   LIG    1        7.030  -1.233  -3.104  0.00  0.00    +0.002 A 
ATOM     23  C   LIG    1        7.473  -0.101  -2.425  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        6.556   0.668  -1.716  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1        5.203   0.303  -1.690  0.00  0.00    +0.027 A 
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   1  16
BRANCH   1  26
ATOM     26  C   LIG    1        0.323  -0.878   0.845  0.00  0.00    +0.027 C 
BRANCH  26  27
ATOM     27  C   LIG    1        0.165  -1.712   2.128  0.00  0.00    +0.028 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -0.168  -2.513   3.400  0.00  0.00    +0.129 C 
BRANCH  28  29
ATOM     29  N   LIG    1       -0.577  -3.182   4.492  0.00  0.00    -0.234 NA
ATOM     30  C   LIG    1       -1.830  -3.077   4.795  0.00  0.00    +0.284 C 
ATOM     31  N   LIG    1       -2.290  -3.807   5.981  0.00  0.00    -0.104 NA
ATOM     32  N   LIG    1       -2.820  -2.299   4.057  0.00  0.00    -0.104 NA
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH   1  26
TORSDOF 13