REMARK  Name = BDB030120
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.135   0.418  -0.491  0.00  0.00    -0.228 N 
ATOM      2  H   LIG    1        0.044   0.022  -1.418  0.00  0.00    +0.171 HD
ATOM      3  C   LIG    1       -1.397   0.341   0.070  0.00  0.00    +0.262 C 
ATOM      4  O   LIG    1       -1.570   0.461   1.282  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -2.550   0.095  -0.837  0.00  0.00    +0.075 A 
ATOM      6  C   LIG    1       -2.401  -0.079  -2.212  0.00  0.00    +0.154 A 
ATOM      7  F   LIG    1       -1.181  -0.038  -2.772  0.00  0.00    -0.203 F 
ATOM      8  C   LIG    1       -3.517  -0.302  -3.017  0.00  0.00    +0.077 A 
ATOM      9 CL   LIG    1       -3.336  -0.514  -4.716  0.00  0.00    -0.081 Cl
ATOM     10  C   LIG    1       -4.792  -0.354  -2.453  0.00  0.00    +0.033 A 
ATOM     11  C   LIG    1       -4.967  -0.186  -1.072  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1       -3.837   0.040  -0.273  0.00  0.00    +0.026 A 
BRANCH  11  13
ATOM     13  C   LIG    1       -6.309  -0.247  -0.514  0.00  0.00    +0.089 A 
ATOM     14  N   LIG    1       -7.434  -0.413  -1.293  0.00  0.00    -0.236 NA
ATOM     15  C   LIG    1       -8.447  -0.425  -0.457  0.00  0.00    +0.199 A 
ATOM     16  N   LIG    1       -8.026  -0.274   0.830  0.00  0.00    -0.339 N 
ATOM     17  C   LIG    1       -8.873  -0.246   1.995  0.00  0.00    +0.150 C 
ATOM     18  C   LIG    1       -6.664  -0.158   0.816  0.00  0.00    +0.115 A 
ENDBRANCH  11  13
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  N   LIG    1        1.037   0.306   0.499  0.00  0.00    -0.108 NA
ATOM     20  H   LIG    1        0.685   0.411   1.465  0.00  0.00    +0.172 HD
BRANCH  19  21
ATOM     21  S   LIG    1        1.877  -1.183   0.404  0.00  0.00    +0.074 S 
ATOM     22  O   LIG    1        1.636  -1.741  -0.911  0.00  0.00    -0.152 OA
ATOM     23  O   LIG    1        1.575  -1.915   1.614  0.00  0.00    -0.152 OA
BRANCH  21  27
ATOM     24  C   LIG    1        6.233   0.204   0.557  0.00  0.00    +0.033 A 
ATOM     25  C   LIG    1        5.482   0.344  -0.614  0.00  0.00    +0.025 A 
ATOM     26  C   LIG    1        4.148  -0.076  -0.658  0.00  0.00    +0.030 A 
ATOM     27  C   LIG    1        3.560  -0.634   0.478  0.00  0.00    +0.107 A 
ATOM     28  C   LIG    1        4.298  -0.792   1.651  0.00  0.00    +0.030 A 
ATOM     29  C   LIG    1        5.631  -0.371   1.686  0.00  0.00    +0.025 A 
BRANCH  24  32
ATOM     30  C   LIG    1        9.770   1.477   0.222  0.00  0.00    +0.109 C 
ATOM     31  C   LIG    1        8.373   1.203  -0.280  0.00  0.00    +0.214 C 
ATOM     32  N   LIG    1        7.581   0.600   0.681  0.00  0.00    -0.286 N 
ATOM     33  H   LIG    1        8.011   0.432   1.582  0.00  0.00    +0.155 HD
ATOM     34  O   LIG    1        8.040   1.530  -1.413  0.00  0.00    -0.276 OA
ENDBRANCH  24  32
ENDBRANCH  21  27
ENDBRANCH  19  21
ENDBRANCH   1  19
TORSDOF 6