REMARK  Name = BDB006954
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.198  -1.175  -1.160  0.00  0.00    +0.234 C 
ATOM      2  N   LIG    1        0.934  -0.428  -0.900  0.00  0.00    -0.269 N 
ATOM      3  C   LIG    1        1.132   0.904  -0.498  0.00  0.00    +0.042 A 
ATOM      4  C   LIG    1        2.502   1.196  -0.456  0.00  0.00    -0.014 A 
ATOM      5  C   LIG    1        2.973   2.455  -0.089  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1        2.049   3.437   0.263  0.00  0.00    +0.019 A 
ATOM      7  C   LIG    1        0.677   3.149   0.246  0.00  0.00    +0.054 A 
ATOM      8  C   LIG    1        3.347  -0.002  -0.872  0.00  0.00    +0.036 C 
ATOM      9  C   LIG    1        3.888   0.282  -2.291  0.00  0.00    +0.023 C 
ATOM     10  C   LIG    1        0.219   1.877  -0.134  0.00  0.00    +0.042 A 
ATOM     11  C   LIG    1        2.248  -1.097  -0.960  0.00  0.00    +0.129 C 
ATOM     12  O   LIG    1       -0.107  -2.397  -1.349  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   8  13
ATOM     13  C   LIG    1        4.417  -0.370   0.164  0.00  0.00    -0.036 A 
ATOM     14  C   LIG    1        4.065  -0.518   1.522  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1        5.016  -0.855   2.488  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1        6.341  -1.054   2.120  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        6.715  -0.916   0.787  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1        5.763  -0.578  -0.181  0.00  0.00    +0.004 A 
ENDBRANCH   8  13
BRANCH   7  19
ATOM     19  C   LIG    1       -0.273   4.154   0.628  0.00  0.00    +0.099 C 
ATOM     20  N   LIG    1       -1.054   4.957   0.931  0.00  0.00    -0.191 NA
ENDBRANCH   7  19
BRANCH   1  21
ATOM     21  C   LIG    1       -1.581  -0.525  -1.274  0.00  0.00    +0.181 C 
BRANCH  21  23
ATOM     22  C   LIG    1       -3.655   0.179  -0.111  0.00  0.00    +0.097 C 
ATOM     23  N   LIG    1       -2.251  -0.330   0.037  0.00  0.00    -0.286 NA
ATOM     24  C   LIG    1       -2.300  -1.580   0.838  0.00  0.00    +0.103 C 
ATOM     25  C   LIG    1       -3.273  -2.660   0.295  0.00  0.00    +0.065 C 
ATOM     26  C   LIG    1       -3.279  -3.880   1.216  0.00  0.00    +0.025 C 
ATOM     27  N   LIG    1       -4.651  -2.144   0.182  0.00  0.00    -0.311 NA
ATOM     28  H   LIG    1       -4.994  -1.927   1.118  0.00  0.00    +0.122 HD
ATOM     29  C   LIG    1       -4.666  -0.900  -0.610  0.00  0.00    +0.102 C 
BRANCH  22  30
ATOM     30  C   LIG    1       -3.782   1.460  -0.974  0.00  0.00    +0.179 C 
BRANCH  30  32
ATOM     31  C   LIG    1       -5.213   2.946   0.208  0.00  0.00    +0.194 C 
ATOM     32  O   LIG    1       -5.085   2.043  -0.885  0.00  0.00    -0.381 OA
ENDBRANCH  30  32
ENDBRANCH  22  30
ENDBRANCH  21  23
ENDBRANCH   1  21
TORSDOF 6