REMARK  Name = BDB012837
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.832   3.803   0.195  0.00  0.00    +0.065 C 
ATOM      2  C   LIG    1        1.431   2.484  -0.191  0.00  0.00    +0.039 A 
ATOM      3  N   LIG    1        0.659   1.641  -0.914  0.00  0.00    -0.256 NA
ATOM      4  C   LIG    1        1.179   0.446  -1.281  0.00  0.00    +0.047 A 
ATOM      5  C   LIG    1        2.473   0.065  -0.931  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1        3.267   0.938  -0.184  0.00  0.00    -0.012 A 
ATOM      7  C   LIG    1        2.729   2.169   0.192  0.00  0.00    +0.031 A 
ENDROOT
BRANCH   4   8
ATOM      8  C   LIG    1        0.307  -0.512  -2.072  0.00  0.00    +0.057 C 
ATOM      9  C   LIG    1       -0.387  -1.530  -1.163  0.00  0.00    +0.117 C 
ATOM     10  N   LIG    1       -1.675  -0.941  -0.830  0.00  0.00    -0.296 N 
ATOM     11  C   LIG    1       -2.549  -1.609   0.010  0.00  0.00    +0.264 C 
ATOM     12  O   LIG    1       -2.286  -2.740   0.417  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1       -1.971   0.189  -1.703  0.00  0.00    +0.109 C 
ATOM     14  C   LIG    1       -0.887   0.147  -2.776  0.00  0.00    +0.030 C 
BRANCH  11  15
ATOM     15  C   LIG    1       -3.769  -0.940   0.381  0.00  0.00    +0.121 A 
ATOM     16  N   LIG    1       -3.897   0.389   0.673  0.00  0.00    -0.272 N 
ATOM     17  H   LIG    1       -3.167   1.091   0.686  0.00  0.00    +0.189 HD
ATOM     18  N   LIG    1       -5.146   0.765   0.992  0.00  0.00    -0.178 NA
ATOM     19  C   LIG    1       -5.840  -0.380   0.986  0.00  0.00    +0.066 A 
ATOM     20  C   LIG    1       -5.019  -1.474   0.628  0.00  0.00    +0.057 A 
BRANCH  19  21
ATOM     21  C   LIG    1       -7.301  -0.410   1.333  0.00  0.00    +0.033 C 
ATOM     22  C   LIG    1       -8.136   0.413   0.350  0.00  0.00    +0.014 C 
ATOM     23  C   LIG    1       -7.553   0.050   2.771  0.00  0.00    +0.014 C 
ENDBRANCH  19  21
ENDBRANCH  11  15
ENDBRANCH   4   8
BRANCH   6  24
ATOM     24  C   LIG    1        4.619   0.580   0.207  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1        5.462  -0.253  -0.500  0.00  0.00    +0.117 A 
ATOM     26  N   LIG    1        6.632  -0.307   0.203  0.00  0.00    -0.269 N 
ATOM     27  N   LIG    1        6.617   0.438   1.322  0.00  0.00    -0.179 NA
ATOM     28  C   LIG    1        5.395   0.977   1.323  0.00  0.00    +0.142 A 
BRANCH  26  29
ATOM     29  C   LIG    1        7.822  -1.051  -0.145  0.00  0.00    +0.171 C 
BRANCH  29  30
ATOM     30  C   LIG    1        7.971  -2.311   0.692  0.00  0.00    +0.179 C 
BRANCH  30  31
ATOM     31  O   LIG    1        9.143  -3.027   0.307  0.00  0.00    -0.393 OA
ATOM     32  H   LIG    1        9.906  -2.568   0.701  0.00  0.00    +0.209 HD
ENDBRANCH  30  31
ENDBRANCH  29  30
ENDBRANCH  26  29
ENDBRANCH   6  24
TORSDOF 7