REMARK  Name = BDB057275
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.082   1.107   0.681  0.00  0.00    +0.237 C 
ATOM      2  N   LIG    1        1.083   1.653   0.193  0.00  0.00    -0.290 N 
ATOM      3  C   LIG    1        2.308   1.699   0.994  0.00  0.00    +0.142 C 
ATOM      4  C   LIG    1        3.164   2.743   0.272  0.00  0.00    +0.032 C 
ATOM      5  C   LIG    1        2.783   2.555  -1.193  0.00  0.00    +0.021 C 
ATOM      6  C   LIG    1        1.297   2.233  -1.127  0.00  0.00    +0.108 C 
ATOM      7  O   LIG    1       -0.115   0.542   1.783  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1        2.949   0.340   1.033  0.00  0.00    +0.129 A 
ATOM      9  N   LIG    1        2.382  -0.694   1.743  0.00  0.00    -0.340 N 
ATOM     10  H   LIG    1        1.496  -0.632   2.232  0.00  0.00    +0.167 HD
ATOM     11  C   LIG    1        3.170  -1.803   1.602  0.00  0.00    +0.066 A 
ATOM     12  C   LIG    1        4.217  -1.376   0.794  0.00  0.00    +0.089 A 
ATOM     13  C   LIG    1        5.228  -2.283   0.446  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        5.145  -3.597   0.925  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1        4.078  -3.998   1.733  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1        3.060  -3.106   2.091  0.00  0.00    +0.028 A 
ATOM     17  N   LIG    1        4.068  -0.053   0.453  0.00  0.00    -0.231 NA
ENDBRANCH   3   8
BRANCH   1  18
ATOM     18  C   LIG    1       -1.360   1.212  -0.175  0.00  0.00    +0.160 C 
BRANCH  18  20
ATOM     19  C   LIG    1       -2.849  -0.553  -1.089  0.00  0.00    +0.230 C 
ATOM     20  N   LIG    1       -1.994  -0.105  -0.110  0.00  0.00    -0.303 N 
ATOM     21  H   LIG    1       -1.898  -0.615   0.762  0.00  0.00    +0.149 HD
ATOM     22  O   LIG    1       -3.130   0.133  -2.073  0.00  0.00    -0.274 OA
BRANCH  19  23
ATOM     23  C   LIG    1       -3.492  -1.940  -0.825  0.00  0.00    +0.137 C 
ATOM     24  C   LIG    1       -2.440  -3.003  -0.518  0.00  0.00    +0.034 C 
BRANCH  23  26
ATOM     25  C   LIG    1       -5.476  -3.050  -1.692  0.00  0.00    +0.101 C 
ATOM     26  N   LIG    1       -4.245  -2.352  -2.030  0.00  0.00    -0.309 NA
ATOM     27  H   LIG    1       -4.471  -1.503  -2.561  0.00  0.00    +0.122 HD
ENDBRANCH  23  26
ENDBRANCH  19  23
ENDBRANCH  18  20
BRANCH  18  28
ATOM     28  C   LIG    1       -2.305   2.281   0.392  0.00  0.00    +0.046 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -1.790   3.700   0.166  0.00  0.00    +0.080 C 
BRANCH  29  30
ATOM     30  N   LIG    1       -2.731   4.673   0.711  0.00  0.00    -0.330 NA
ATOM     31  H   LIG    1       -3.636   4.576   0.249  0.00  0.00    +0.118 HD
ATOM     32  H   LIG    1       -2.408   5.617   0.501  0.00  0.00    +0.118 HD
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH  18  28
ENDBRANCH   1  18
TORSDOF 8