REMARK  Name = BDB003794
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.501   0.096  -0.078  0.00  0.00    +0.221 A 
ATOM      2  N   LIG    1        0.687   0.658   0.205  0.00  0.00    -0.199 NA
ATOM      3  C   LIG    1        1.809  -0.018  -0.102  0.00  0.00    +0.128 A 
ATOM      4  C   LIG    1        1.760  -1.240  -0.730  0.00  0.00    +0.063 A 
ATOM      5  C   LIG    1        0.509  -1.741  -0.987  0.00  0.00    +0.118 A 
ATOM      6  N   LIG    1       -0.625  -1.101  -0.663  0.00  0.00    -0.223 NA
ENDROOT
BRANCH   1   7
ATOM      7  N   LIG    1       -1.608   0.855   0.293  0.00  0.00    -0.284 N 
ATOM      8  H   LIG    1       -1.283   1.716   0.709  0.00  0.00    +0.155 HD
BRANCH   7  12
ATOM      9  C   LIG    1       -5.801   0.466  -0.012  0.00  0.00    +0.059 A 
ATOM     10  C   LIG    1       -4.981  -0.507  -0.588  0.00  0.00    +0.017 A 
ATOM     11  C   LIG    1       -3.589  -0.390  -0.495  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1       -2.990   0.697   0.153  0.00  0.00    +0.034 A 
ATOM     13  C   LIG    1       -3.835   1.672   0.710  0.00  0.00    +0.024 A 
ATOM     14  C   LIG    1       -5.227   1.567   0.624  0.00  0.00    +0.017 A 
BRANCH   9  16
ATOM     15  O   LIG    1       -7.995   1.341  -0.275  0.00  0.00    -0.245 OA
ATOM     16  C   LIG    1       -7.276   0.377  -0.083  0.00  0.00    +0.337 C 
BRANCH  16  17
ATOM     17  O   LIG    1       -7.739  -0.872   0.138  0.00  0.00    -0.477 OA
ATOM     18  H   LIG    1       -7.064  -1.504   0.446  0.00  0.00    +0.295 HD
ENDBRANCH  16  17
ENDBRANCH   9  16
ENDBRANCH   7  12
ENDBRANCH   1   7
BRANCH   3  19
ATOM     19  N   LIG    1        3.002   0.631   0.212  0.00  0.00    -0.297 N 
ATOM     20  H   LIG    1        2.807   1.573   0.543  0.00  0.00    +0.154 HD
BRANCH  19  21
ATOM     21  C   LIG    1        4.304   0.203   0.525  0.00  0.00    +0.068 A 
ATOM     22  C   LIG    1        5.340   1.154   0.524  0.00  0.00    +0.144 A 
ATOM     23  F   LIG    1        5.049   2.443   0.281  0.00  0.00    -0.204 F 
ATOM     24  C   LIG    1        6.667   0.808   0.773  0.00  0.00    +0.040 A 
ATOM     25  C   LIG    1        6.991  -0.520   1.030  0.00  0.00    +0.003 A 
ATOM     26  C   LIG    1        5.984  -1.484   1.039  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1        4.654  -1.126   0.785  0.00  0.00    +0.026 A 
ENDBRANCH  19  21
ENDBRANCH   3  19
TORSDOF 6