REMARK  Name = BDB047400
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.664  -0.261  -1.012  0.00  0.00    +0.221 A 
ATOM      2  C   LIG    1       -1.804  -0.519  -2.075  0.00  0.00    +0.043 A 
ATOM      3  C   LIG    1       -2.334  -1.226  -3.162  0.00  0.00    +0.021 A 
ATOM      4  C   LIG    1       -3.677  -1.619  -3.165  0.00  0.00    +0.001 A 
ATOM      5  C   LIG    1       -4.463  -1.288  -2.044  0.00  0.00    +0.075 A 
ATOM      6  C   LIG    1       -5.797  -1.674  -2.042  0.00  0.00    +0.028 A 
ATOM      7  C   LIG    1       -6.362  -2.372  -3.113  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -5.582  -2.698  -4.216  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -4.240  -2.323  -4.244  0.00  0.00    +0.010 A 
ATOM     10  N   LIG    1       -3.966  -0.624  -0.988  0.00  0.00    -0.213 NA
ENDROOT
BRANCH   2  11
ATOM     11  C   LIG    1       -0.351  -0.107  -2.038  0.00  0.00    +0.150 C 
BRANCH  11  12
ATOM     12  O   LIG    1        0.055   0.305  -3.346  0.00  0.00    -0.387 OA
ATOM     13  H   LIG    1       -0.578   0.988  -3.630  0.00  0.00    +0.210 HD
ENDBRANCH  11  12
BRANCH  11  14
ATOM     14  C   LIG    1        0.539  -1.265  -1.563  0.00  0.00    +0.036 C 
BRANCH  14  15
ATOM     15  C   LIG    1        1.946  -0.836  -1.118  0.00  0.00    +0.003 C 
BRANCH  15  16
ATOM     16  C   LIG    1        2.819  -0.281  -2.245  0.00  0.00    +0.000 C 
BRANCH  16  17
ATOM     17  C   LIG    1        4.291  -0.124  -1.847  0.00  0.00    +0.000 C 
BRANCH  17  18
ATOM     18  C   LIG    1        4.514   0.916  -0.747  0.00  0.00    +0.001 C 
BRANCH  18  19
ATOM     19  C   LIG    1        6.008   1.107  -0.463  0.00  0.00    +0.011 C 
BRANCH  19  20
ATOM     20  C   LIG    1        6.267   2.161   0.614  0.00  0.00    +0.120 C 
BRANCH  20  21
ATOM     21  C   LIG    1        5.899   1.695   2.004  0.00  0.00    +0.307 C 
ATOM     22  O   LIG    1        5.681   0.537   2.332  0.00  0.00    -0.251 OA
BRANCH  21  23
ATOM     23  O   LIG    1        5.876   2.765   2.850  0.00  0.00    -0.468 OA
ATOM     24  C   LIG    1        5.553   2.429   4.200  0.00  0.00    +0.280 C 
ENDBRANCH  21  23
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH  11  14
ENDBRANCH   2  11
BRANCH   1  25
ATOM     25  O   LIG    1       -2.134   0.400   0.078  0.00  0.00    -0.476 OA
BRANCH  25  26
ATOM     26  C   LIG    1       -3.032   0.603   1.174  0.00  0.00    +0.231 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -3.036  -0.617   2.098  0.00  0.00    +0.041 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -3.922  -0.436   3.333  0.00  0.00    +0.003 C 
BRANCH  28  30
ATOM     29  C   LIG    1       -2.542   1.383   4.499  0.00  0.00    +0.004 C 
ATOM     30  C   LIG    1       -3.177   0.007   4.595  0.00  0.00    -0.003 C 
ENDBRANCH  28  30
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH   1  25
TORSDOF 16