REMARK  Name = BDB007877
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.753   0.124   2.119  0.00  0.00    +0.145 C 
ATOM      2  C   LIG    1        2.029  -0.737   2.205  0.00  0.00    +0.233 C 
ATOM      3  O   LIG    1        2.211  -1.872   1.788  0.00  0.00    -0.274 OA
ATOM      4  N   LIG    1        2.983   0.009   2.884  0.00  0.00    -0.293 N 
ATOM      5  C   LIG    1        2.558   1.360   3.132  0.00  0.00    +0.110 C 
ATOM      6  C   LIG    1        1.373   1.532   2.200  0.00  0.00    +0.047 C 
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1       -2.773  -0.689  -0.208  0.00  0.00    +0.063 C 
ATOM      8  C   LIG    1       -2.160  -1.496   0.944  0.00  0.00    +0.027 C 
ATOM      9  C   LIG    1       -0.633  -1.478   0.889  0.00  0.00    +0.086 C 
ATOM     10  N   LIG    1       -0.039  -0.127   0.897  0.00  0.00    -0.291 NA
ATOM     11  C   LIG    1       -1.015   0.935   0.623  0.00  0.00    +0.086 C 
ATOM     12  C   LIG    1       -1.940   0.556  -0.533  0.00  0.00    +0.027 C 
BRANCH   7  13
ATOM     13  C   LIG    1       -4.203  -0.274   0.132  0.00  0.00    +0.166 C 
ATOM     14  O   LIG    1       -4.527   0.061   1.272  0.00  0.00    -0.292 OA
BRANCH  13  18
ATOM     15  C   LIG    1       -7.278  -0.166  -2.886  0.00  0.00    +0.120 A 
ATOM     16  C   LIG    1       -7.602  -0.175  -1.531  0.00  0.00    +0.046 A 
ATOM     17  C   LIG    1       -6.587  -0.210  -0.566  0.00  0.00    +0.015 A 
ATOM     18  C   LIG    1       -5.238  -0.242  -0.946  0.00  0.00    +0.018 A 
ATOM     19  C   LIG    1       -4.915  -0.224  -2.305  0.00  0.00    +0.015 A 
ATOM     20  C   LIG    1       -5.933  -0.188  -3.265  0.00  0.00    +0.046 A 
BRANCH  15  22
ATOM     21  C   LIG    1       -9.547  -0.125  -3.594  0.00  0.00    +0.277 C 
ATOM     22  O   LIG    1       -8.163  -0.133  -3.927  0.00  0.00    -0.495 OA
ENDBRANCH  15  22
ENDBRANCH  13  18
ENDBRANCH   7  13
ENDBRANCH   1  10
BRANCH   4  23
ATOM     23  C   LIG    1        4.338  -0.443   3.125  0.00  0.00    +0.181 C 
BRANCH  23  24
ATOM     24  C   LIG    1        5.170  -0.182   1.917  0.00  0.00    +0.126 A 
ATOM     25  N   LIG    1        4.989  -0.890   0.750  0.00  0.00    -0.338 N 
ATOM     26  H   LIG    1        4.289  -1.609   0.591  0.00  0.00    +0.167 HD
ATOM     27  C   LIG    1        5.897  -0.420  -0.152  0.00  0.00    +0.113 A 
ATOM     28  C   LIG    1        6.593   0.557   0.495  0.00  0.00    +0.093 A 
ATOM     29  C   LIG    1        7.737   1.413  -0.072  0.00  0.00    +0.030 A 
ATOM     30  C   LIG    1        8.235   1.423  -1.315  0.00  0.00    +0.002 A 
ATOM     31  C   LIG    1        7.928   0.713  -2.409  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1        7.033  -0.263  -2.599  0.00  0.00    +0.053 A 
ATOM     33  C   LIG    1        6.097  -0.873  -1.568  0.00  0.00    +0.204 A 
ATOM     34  O   LIG    1        5.446  -1.835  -1.934  0.00  0.00    -0.286 OA
ATOM     35  N   LIG    1        6.138   0.707   1.781  0.00  0.00    -0.231 NA
ENDBRANCH  23  24
ENDBRANCH   4  23
TORSDOF 6