REMARK  Name = BDB007763
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.215  -0.051  -0.366  0.00  0.00    +0.244 C 
ATOM      2  N   LIG    1        1.148   0.177  -1.354  0.00  0.00    -0.309 N 
ATOM      3  H   LIG    1        0.832   0.398  -2.289  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1        0.503  -0.558   0.713  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   9
ATOM      5  C   LIG    1       -3.542  -0.154  -0.347  0.00  0.00    +0.122 A 
ATOM      6  N   LIG    1       -3.844   0.853  -1.202  0.00  0.00    -0.240 NA
ATOM      7  C   LIG    1       -2.850   1.575  -1.763  0.00  0.00    +0.113 A 
ATOM      8  C   LIG    1       -1.513   1.342  -1.538  0.00  0.00    +0.033 A 
ATOM      9  C   LIG    1       -1.192   0.295  -0.685  0.00  0.00    +0.041 A 
ATOM     10  C   LIG    1       -2.210  -0.449  -0.079  0.00  0.00    +0.056 A 
BRANCH   5  11
ATOM     11  N   LIG    1       -4.587  -0.886   0.208  0.00  0.00    -0.317 N 
ATOM     12  C   LIG    1       -4.386  -1.587   1.472  0.00  0.00    +0.130 C 
BRANCH  11  13
ATOM     13  C   LIG    1       -5.953  -0.407  -0.061  0.00  0.00    +0.125 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -6.327   0.833   0.774  0.00  0.00    +0.126 C 
BRANCH  14  17
ATOM     15  C   LIG    1      -10.138   1.068   0.776  0.00  0.00    +0.109 C 
ATOM     16  C   LIG    1       -8.737   0.646   1.138  0.00  0.00    +0.212 C 
ATOM     17  N   LIG    1       -7.690   1.311   0.511  0.00  0.00    -0.303 N 
ATOM     18  C   LIG    1       -7.858   2.185  -0.641  0.00  0.00    +0.132 C 
ATOM     19  O   LIG    1       -8.552  -0.253   1.959  0.00  0.00    -0.276 OA
ENDBRANCH  14  17
ENDBRANCH  13  14
ENDBRANCH  11  13
ENDBRANCH   5  11
ENDBRANCH   1   9
BRANCH   2  20
ATOM     20  C   LIG    1        2.566  -0.122  -1.169  0.00  0.00    +0.137 C 
BRANCH  20  21
ATOM     21  C   LIG    1        2.867  -1.631  -1.130  0.00  0.00    +0.145 C 
BRANCH  21  22
ATOM     22  O   LIG    1        2.574  -2.194   0.154  0.00  0.00    -0.389 OA
ATOM     23  H   LIG    1        1.793  -1.719   0.515  0.00  0.00    +0.210 HD
ENDBRANCH  21  22
BRANCH  21  24
ATOM     24  C   LIG    1        4.319  -1.995  -1.548  0.00  0.00    +0.117 C 
BRANCH  24  25
ATOM     25  N   LIG    1        5.494  -1.514  -0.803  0.00  0.00    -0.295 NA
ATOM     26  C   LIG    1        5.889  -0.135  -1.098  0.00  0.00    +0.120 C 
ATOM     27  C   LIG    1        7.121   0.315  -0.339  0.00  0.00    -0.030 A 
ATOM     28  C   LIG    1        7.528  -0.349   0.832  0.00  0.00    -0.042 A 
ATOM     29  C   LIG    1        8.649   0.107   1.538  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1        9.348   1.231   1.100  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        8.937   1.903  -0.049  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        6.801  -1.591   1.286  0.00  0.00    +0.051 C 
ATOM     33  C   LIG    1        7.827   1.450  -0.764  0.00  0.00    +0.005 A 
ATOM     34  C   LIG    1        5.414  -1.741   0.643  0.00  0.00    +0.089 C 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  20  21
ENDBRANCH   2  20
TORSDOF 10