REMARK  Name = BDB013752
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.730  -1.800   1.054  0.00  0.00    +0.106 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        0.535  -1.097   0.523  0.00  0.00    -0.028 A 
ATOM      3  C   LIG    1        1.313  -1.659  -0.505  0.00  0.00    +0.006 A 
ATOM      4  C   LIG    1        2.438  -0.993  -0.993  0.00  0.00    +0.013 A 
ATOM      5  C   LIG    1        2.803   0.236  -0.441  0.00  0.00    +0.037 A 
ATOM      6  C   LIG    1        2.039   0.818   0.572  0.00  0.00    +0.013 A 
ATOM      7  C   LIG    1        0.914   0.149   1.056  0.00  0.00    +0.006 A 
BRANCH   5   8
ATOM      8  C   LIG    1        3.984   0.939  -0.978  0.00  0.00    +0.247 C 
ATOM      9  N   LIG    1        5.094   1.049  -0.164  0.00  0.00    -0.298 N 
ATOM     10  C   LIG    1        6.312   1.673  -0.648  0.00  0.00    +0.108 C 
ATOM     11  C   LIG    1        7.400   1.165   0.288  0.00  0.00    +0.020 C 
ATOM     12  C   LIG    1        6.651   0.947   1.596  0.00  0.00    +0.020 C 
ATOM     13  C   LIG    1        5.302   0.416   1.131  0.00  0.00    +0.108 C 
ATOM     14  O   LIG    1        3.931   1.377  -2.123  0.00  0.00    -0.270 OA
ENDBRANCH   5   8
ENDBRANCH   1   2
BRANCH   1  15
ATOM     15  N   LIG    1       -0.476  -3.253   1.325  0.00  0.00    -0.300 NA
ATOM     16  C   LIG    1        0.541  -3.423   2.375  0.00  0.00    +0.105 C 
ATOM     17  C   LIG    1       -1.691  -3.961   1.746  0.00  0.00    +0.105 C 
ENDBRANCH   1  15
BRANCH   1  19
ATOM     18  C   LIG    1       -1.903  -2.085  -1.273  0.00  0.00    +0.030 C 
ATOM     19  C   LIG    1       -1.977  -1.475   0.129  0.00  0.00    +0.090 C 
BRANCH  19  20
ATOM     20  N   LIG    1       -2.174  -0.026   0.010  0.00  0.00    -0.322 N 
ATOM     21  H   LIG    1       -1.396   0.472  -0.430  0.00  0.00    +0.148 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -3.401   0.557  -0.248  0.00  0.00    +0.166 A 
ATOM     23  C   LIG    1       -3.378   1.907  -0.867  0.00  0.00    +0.117 A 
ATOM     24  C   LIG    1       -4.570   2.538  -1.122  0.00  0.00    +0.070 A 
ATOM     25  C   LIG    1       -4.528   3.803  -1.709  0.00  0.00    +0.017 A 
ATOM     26  C   LIG    1       -3.290   4.368  -2.017  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1       -2.139   3.648  -1.726  0.00  0.00    +0.111 A 
ATOM     28  C   LIG    1       -5.824   1.864  -0.779  0.00  0.00    +0.276 A 
ATOM     29  O   LIG    1       -6.885   2.449  -0.985  0.00  0.00    -0.266 OA
ATOM     30  N   LIG    1       -5.713   0.585  -0.241  0.00  0.00    -0.230 N 
ATOM     31  C   LIG    1       -6.906  -0.148   0.142  0.00  0.00    +0.176 C 
ATOM     32  N   LIG    1       -2.147   2.424  -1.154  0.00  0.00    -0.251 NA
ATOM     33  N   LIG    1       -4.521  -0.044   0.036  0.00  0.00    -0.151 NA
ENDBRANCH  20  22
ENDBRANCH  19  20
ENDBRANCH   1  19
TORSDOF 6