REMARK  Name = BDB014510
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.777   1.276   2.191  0.00  0.00    +0.251 C 
ATOM      2  N   LIG    1        0.810   0.938   0.851  0.00  0.00    -0.310 N 
ATOM      3  H   LIG    1        1.727   0.671   0.503  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1       -0.259   1.315   2.850  0.00  0.00    -0.272 OA
ENDROOT
BRANCH   1   5
ATOM      5  C   LIG    1        2.152   1.585   2.798  0.00  0.00    +0.324 C 
BRANCH   5   6
ATOM      6  O   LIG    1        2.736   0.505   3.524  0.00  0.00    -0.481 OA
BRANCH   6  15
ATOM      7  C   LIG    1        5.287   0.336   0.146  0.00  0.00    +0.122 A 
ATOM      8  N   LIG    1        4.454   0.413   1.210  0.00  0.00    -0.228 NA
ATOM      9  C   LIG    1        3.797  -0.682   1.659  0.00  0.00    +0.115 A 
ATOM     10  C   LIG    1        3.931  -1.924   1.010  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1        3.239  -3.061   1.467  0.00  0.00    +0.010 A 
ATOM     12  C   LIG    1        2.411  -2.984   2.583  0.00  0.00    +0.004 A 
ATOM     13  C   LIG    1        2.270  -1.770   3.240  0.00  0.00    +0.048 A 
ATOM     14  C   LIG    1        4.778  -2.002  -0.097  0.00  0.00    +0.013 A 
ATOM     15  C   LIG    1        2.940  -0.634   2.773  0.00  0.00    +0.147 A 
ATOM     16  C   LIG    1        5.470  -0.872  -0.518  0.00  0.00    +0.044 A 
BRANCH   7  18
ATOM     17  C   LIG    1        5.878   2.606   0.665  0.00  0.00    +0.130 C 
ATOM     18  N   LIG    1        6.012   1.473  -0.251  0.00  0.00    -0.321 N 
ATOM     19  C   LIG    1        5.872   1.817  -1.668  0.00  0.00    +0.130 C 
ENDBRANCH   7  18
ENDBRANCH   6  15
ENDBRANCH   5   6
ENDBRANCH   1   5
BRANCH   2  20
ATOM     20  C   LIG    1       -0.327   0.322   0.164  0.00  0.00    +0.136 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -1.634   1.140   0.201  0.00  0.00    +0.145 C 
BRANCH  21  22
ATOM     22  O   LIG    1       -2.368   0.908   1.411  0.00  0.00    -0.389 OA
ATOM     23  H   LIG    1       -1.737   1.079   2.145  0.00  0.00    +0.210 HD
ENDBRANCH  21  22
BRANCH  21  24
ATOM     24  C   LIG    1       -2.559   0.843  -1.008  0.00  0.00    +0.117 C 
BRANCH  24  25
ATOM     25  N   LIG    1       -2.769  -0.582  -1.360  0.00  0.00    -0.295 NA
ATOM     26  C   LIG    1       -3.590  -0.705  -2.587  0.00  0.00    +0.120 C 
ATOM     27  C   LIG    1       -5.075  -0.474  -2.396  0.00  0.00    -0.030 A 
ATOM     28  C   LIG    1       -5.676  -0.650  -1.137  0.00  0.00    -0.042 A 
ATOM     29  C   LIG    1       -7.060  -0.474  -0.993  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1       -7.843  -0.130  -2.092  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -7.253   0.037  -3.343  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -4.828  -0.951   0.076  0.00  0.00    +0.051 C 
ATOM     33  C   LIG    1       -5.877  -0.140  -3.497  0.00  0.00    +0.005 A 
ATOM     34  C   LIG    1       -3.400  -1.380  -0.293  0.00  0.00    +0.089 C 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  20  21
ENDBRANCH   2  20
TORSDOF 9