REMARK  Name = BDB024212
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.374  -1.374   0.032  0.00  0.00    +0.171 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.000  -2.796  -0.375  0.00  0.00    -0.022 A 
ATOM      3  C   LIG    1       -0.902  -3.852   0.544  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1       -0.555  -5.137   0.120  0.00  0.00    +0.000 A 
ATOM      5  C   LIG    1       -0.316  -5.390  -1.229  0.00  0.00    +0.000 A 
ATOM      6  C   LIG    1       -0.434  -4.361  -2.159  0.00  0.00    +0.000 A 
ATOM      7  C   LIG    1       -0.780  -3.076  -1.737  0.00  0.00    +0.005 A 
ENDBRANCH   1   2
BRANCH   1  10
ATOM      8  N   LIG    1        0.108  -0.522   1.931  0.00  0.00    -0.269 N 
ATOM      9  H   LIG    1        0.086  -0.236   2.903  0.00  0.00    +0.156 HD
ATOM     10  C   LIG    1       -1.069  -1.060   1.518  0.00  0.00    +0.240 C 
ATOM     11  O   LIG    1       -1.933  -1.252   2.388  0.00  0.00    -0.273 OA
BRANCH   8  15
ATOM     12  C   LIG    1        3.892   0.447   0.486  0.00  0.00    +0.003 A 
ATOM     13  C   LIG    1        3.364   0.836   1.709  0.00  0.00    +0.121 A 
ATOM     14  N   LIG    1        2.126   0.501   2.154  0.00  0.00    -0.240 NA
ATOM     15  C   LIG    1        1.342  -0.248   1.352  0.00  0.00    +0.125 A 
ATOM     16  C   LIG    1        1.786  -0.700   0.123  0.00  0.00    +0.044 A 
ATOM     17  C   LIG    1        3.068  -0.344  -0.314  0.00  0.00    +0.013 A 
BRANCH  12  22
ATOM     18  C   LIG    1        8.649   1.879   0.472  0.00  0.00    +0.172 C 
ATOM     19  N   LIG    1        7.328   1.462   0.067  0.00  0.00    -0.274 N 
ATOM     20  N   LIG    1        7.058   1.298  -1.239  0.00  0.00    -0.179 NA
ATOM     21  C   LIG    1        5.780   0.913  -1.248  0.00  0.00    +0.143 A 
ATOM     22  C   LIG    1        5.221   0.830   0.050  0.00  0.00    +0.021 A 
ATOM     23  C   LIG    1        6.263   1.194   0.880  0.00  0.00    +0.116 A 
ENDBRANCH  12  22
ENDBRANCH   8  15
ENDBRANCH   1  10
BRANCH   1  24
ATOM     24  N   LIG    1       -2.825  -1.178  -0.234  0.00  0.00    -0.302 NA
ATOM     25  H   LIG    1       -3.325  -1.654   0.523  0.00  0.00    +0.123 HD
BRANCH  24  26
ATOM     26  C   LIG    1       -3.200   0.240  -0.238  0.00  0.00    +0.086 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -4.710   0.388  -0.468  0.00  0.00    +0.050 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -5.130   1.839  -0.489  0.00  0.00    -0.046 A 
ATOM     29  C   LIG    1       -5.186   2.544  -1.700  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1       -5.556   3.890  -1.716  0.00  0.00    +0.020 A 
ATOM     31  C   LIG    1       -5.866   4.538  -0.522  0.00  0.00    +0.041 A 
ATOM     32 CL   LIG    1       -6.319   6.198  -0.543  0.00  0.00    -0.084 Cl
ATOM     33  C   LIG    1       -5.808   3.852   0.688  0.00  0.00    +0.020 A 
ATOM     34  C   LIG    1       -5.439   2.505   0.705  0.00  0.00    +0.005 A 
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  24  26
ENDBRANCH   1  24
TORSDOF 8