REMARK  Name = BDB004941
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.166   0.450  -0.298  0.00  0.00    -0.324 N 
ATOM      2  H   LIG    1        0.081  -0.307  -0.972  0.00  0.00    +0.148 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        1.168   0.131   0.635  0.00  0.00    +0.130 A 
ATOM      4  C   LIG    1        2.423  -0.327   0.176  0.00  0.00    +0.041 A 
ATOM      5  C   LIG    1        3.381  -0.642   1.160  0.00  0.00    +0.088 A 
ATOM      6  C   LIG    1        4.633  -1.124   0.722  0.00  0.00    +0.063 A 
ATOM      7  C   LIG    1        4.924  -1.272  -0.648  0.00  0.00    +0.015 A 
ATOM      8  C   LIG    1        3.982  -0.942  -1.608  0.00  0.00    +0.002 A 
ATOM      9  N   LIG    1        3.094  -0.477   2.470  0.00  0.00    -0.235 NA
ATOM     10  C   LIG    1        1.888   0.004   2.791  0.00  0.00    +0.223 A 
ATOM     11  C   LIG    1        2.743  -0.471  -1.199  0.00  0.00    +0.013 A 
ATOM     12  N   LIG    1        0.917   0.320   1.938  0.00  0.00    -0.220 NA
BRANCH   6  13
ATOM     13  C   LIG    1        5.738  -1.508   1.657  0.00  0.00    +0.244 C 
ATOM     14  O   LIG    1        6.819  -1.915   1.242  0.00  0.00    -0.270 OA
ATOM     15  N   LIG    1        5.524  -1.401   2.998  0.00  0.00    -0.325 N 
ATOM     16  H   LIG    1        6.270  -1.635   3.636  0.00  0.00    +0.145 HD
ATOM     17  H   LIG    1        4.644  -1.040   3.357  0.00  0.00    +0.145 HD
ENDBRANCH   6  13
ENDBRANCH   1   3
BRANCH   1  18
ATOM     18  C   LIG    1       -1.174   0.857   0.193  0.00  0.00    +0.096 C 
BRANCH  18  20
ATOM     19  C   LIG    1       -2.359  -0.972  -1.244  0.00  0.00    +0.102 C 
ATOM     20  C   LIG    1       -2.216  -0.316   0.136  0.00  0.00    +0.080 C 
ATOM     21  C   LIG    1       -1.945  -1.373   1.243  0.00  0.00    +0.040 C 
ATOM     22  C   LIG    1       -1.109  -2.540   0.792  0.00  0.00    -0.026 C 
ATOM     23  C   LIG    1       -1.037  -2.885  -0.500  0.00  0.00    -0.001 C 
ATOM     24  C   LIG    1       -1.799  -2.172  -1.499  0.00  0.00    +0.041 C 
BRANCH  19  26
ATOM     25  C   LIG    1       -3.397  -0.787  -3.405  0.00  0.00    +0.276 C 
ATOM     26  O   LIG    1       -3.131  -0.241  -2.120  0.00  0.00    -0.499 OA
ENDBRANCH  19  26
ENDBRANCH  18  20
BRANCH  18  27
ATOM     27  C   LIG    1       -1.612   2.100  -0.647  0.00  0.00    +0.106 C 
BRANCH  27  28
ATOM     28  N   LIG    1       -2.908   2.709  -0.271  0.00  0.00    -0.307 NA
ATOM     29  C   LIG    1       -3.326   3.663  -1.300  0.00  0.00    +0.104 C 
ATOM     30  C   LIG    1       -2.835   3.380   1.028  0.00  0.00    +0.104 C 
ENDBRANCH  27  28
ENDBRANCH  18  27
ENDBRANCH   1  18
TORSDOF 7