REMARK  Name = BDB004653
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.155  -1.291  -0.867  0.00  0.00    -0.320 N 
ATOM      2  H   LIG    1        0.410  -1.444   0.106  0.00  0.00    +0.148 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        0.939  -0.246  -1.390  0.00  0.00    +0.130 A 
ATOM      4  C   LIG    1        2.343  -0.296  -1.247  0.00  0.00    +0.041 A 
ATOM      5  C   LIG    1        3.075   0.781  -1.785  0.00  0.00    +0.088 A 
ATOM      6  C   LIG    1        4.479   0.757  -1.637  0.00  0.00    +0.063 A 
ATOM      7  C   LIG    1        5.129  -0.309  -0.986  0.00  0.00    +0.015 A 
ATOM      8  C   LIG    1        4.403  -1.372  -0.475  0.00  0.00    +0.002 A 
ATOM      9  N   LIG    1        2.436   1.788  -2.421  0.00  0.00    -0.235 NA
ATOM     10  C   LIG    1        1.106   1.717  -2.531  0.00  0.00    +0.223 A 
ATOM     11  C   LIG    1        3.021  -1.366  -0.607  0.00  0.00    +0.013 A 
ATOM     12  N   LIG    1        0.329   0.750  -2.049  0.00  0.00    -0.220 NA
BRANCH   6  13
ATOM     13  C   LIG    1        5.378   1.838  -2.153  0.00  0.00    +0.244 C 
ATOM     14  O   LIG    1        6.594   1.788  -2.002  0.00  0.00    -0.270 OA
ATOM     15  N   LIG    1        4.818   2.897  -2.802  0.00  0.00    -0.325 N 
ATOM     16  H   LIG    1        3.812   2.957  -2.932  0.00  0.00    +0.145 HD
ATOM     17  H   LIG    1        5.417   3.631  -3.152  0.00  0.00    +0.145 HD
ENDBRANCH   6  13
ENDBRANCH   1   3
BRANCH   1  18
ATOM     18  C   LIG    1       -1.311  -1.210  -1.005  0.00  0.00    +0.116 C 
BRANCH  18  22
ATOM     19  C   LIG    1       -2.869   0.006   2.877  0.00  0.00    +0.162 A 
ATOM     20  C   LIG    1       -2.373   0.960   1.968  0.00  0.00    +0.162 A 
ATOM     21  C   LIG    1       -1.895   0.540   0.720  0.00  0.00    +0.055 A 
ATOM     22  C   LIG    1       -1.895  -0.819   0.352  0.00  0.00    -0.022 A 
ATOM     23  C   LIG    1       -2.379  -1.754   1.274  0.00  0.00    +0.009 A 
ATOM     24  C   LIG    1       -2.866  -1.345   2.521  0.00  0.00    +0.050 A 
BRANCH  19  26
ATOM     25  C   LIG    1       -3.898  -0.434   4.987  0.00  0.00    +0.277 C 
ATOM     26  O   LIG    1       -3.321   0.492   4.079  0.00  0.00    -0.491 OA
ENDBRANCH  19  26
BRANCH  20  27
ATOM     27  O   LIG    1       -2.397   2.267   2.390  0.00  0.00    -0.491 OA
ATOM     28  C   LIG    1       -1.872   3.252   1.513  0.00  0.00    +0.277 C 
ENDBRANCH  20  27
ENDBRANCH  18  22
BRANCH  18  29
ATOM     29  C   LIG    1       -1.798  -2.571  -1.602  0.00  0.00    +0.104 C 
BRANCH  29  30
ATOM     30  N   LIG    1       -3.246  -2.685  -1.822  0.00  0.00    -0.328 NA
ATOM     31  H   LIG    1       -3.439  -3.545  -2.334  0.00  0.00    +0.118 HD
ATOM     32  H   LIG    1       -3.558  -1.921  -2.422  0.00  0.00    +0.118 HD
ENDBRANCH  29  30
ENDBRANCH  18  29
ENDBRANCH   1  18
TORSDOF 8