REMARK  Name = BDB019556
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.603   0.483  -0.588  0.00  0.00    -0.015 A 
ATOM      2  C   LIG    1       -0.507   0.914   0.175  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1        0.394  -0.002   0.737  0.00  0.00    +0.038 A 
ATOM      4  C   LIG    1        0.189  -1.375   0.556  0.00  0.00    +0.018 A 
ATOM      5  C   LIG    1       -0.904  -1.839  -0.194  0.00  0.00    -0.026 A 
ATOM      6  C   LIG    1       -1.780  -0.901  -0.766  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1       -4.800   2.254  -1.599  0.00  0.00    +0.139 A 
ATOM      8  C   LIG    1       -3.927   1.331  -1.021  0.00  0.00    +0.057 A 
ATOM      9  C   LIG    1       -2.539   1.448  -1.186  0.00  0.00    +0.004 A 
ATOM     10  C   LIG    1       -2.099   2.528  -1.951  0.00  0.00    +0.119 A 
ATOM     11  N   LIG    1       -2.910   3.444  -2.533  0.00  0.00    -0.259 NA
ATOM     12  C   LIG    1       -4.240   3.285  -2.341  0.00  0.00    +0.156 A 
BRANCH   7  14
ATOM     13  C   LIG    1       -7.035   2.986  -1.906  0.00  0.00    +0.277 C 
ATOM     14  O   LIG    1       -6.126   2.033  -1.366  0.00  0.00    -0.494 OA
ENDBRANCH   7  14
ENDBRANCH   1   9
BRANCH   3  15
ATOM     15  C   LIG    1        1.532   0.535   1.537  0.00  0.00    +0.244 C 
ATOM     16  N   LIG    1        2.654  -0.261   1.629  0.00  0.00    -0.307 N 
ATOM     17  H   LIG    1        2.749  -1.056   1.014  0.00  0.00    +0.149 HD
ATOM     18  O   LIG    1        1.452   1.649   2.043  0.00  0.00    -0.270 OA
BRANCH  16  19
ATOM     19  C   LIG    1        3.854   0.209   2.283  0.00  0.00    +0.140 C 
BRANCH  19  20
ATOM     20  C   LIG    1        4.824   0.773   1.276  0.00  0.00    -0.029 A 
ATOM     21  C   LIG    1        5.839  -0.028   0.731  0.00  0.00    +0.026 A 
ATOM     22  C   LIG    1        6.720   0.492  -0.225  0.00  0.00    +0.060 A 
ATOM     23 CL   LIG    1        7.941  -0.562  -0.845  0.00  0.00    -0.082 Cl
ATOM     24  C   LIG    1        6.589   1.819  -0.648  0.00  0.00    +0.059 A 
ATOM     25 CL   LIG    1        7.637   2.525  -1.826  0.00  0.00    -0.082 Cl
ATOM     26  C   LIG    1        5.575   2.619  -0.115  0.00  0.00    +0.022 A 
ATOM     27  C   LIG    1        4.697   2.098   0.838  0.00  0.00    +0.007 A 
ENDBRANCH  19  20
ENDBRANCH  16  19
ENDBRANCH   3  15
BRANCH   5  28
ATOM     28  C   LIG    1       -1.131  -3.316  -0.417  0.00  0.00    +0.157 C 
BRANCH  28  29
ATOM     29  N   LIG    1       -1.220  -4.058   0.829  0.00  0.00    -0.332 N 
ATOM     30  C   LIG    1       -2.228  -3.967   1.746  0.00  0.00    +0.199 A 
ATOM     31  N   LIG    1       -2.035  -4.791   2.751  0.00  0.00    -0.244 NA
ATOM     32  C   LIG    1       -0.863  -5.443   2.467  0.00  0.00    +0.130 A 
ATOM     33  C   LIG    1       -0.340  -5.007   1.272  0.00  0.00    +0.107 A 
ENDBRANCH  28  29
ENDBRANCH   5  28
TORSDOF 7