REMARK Name = BDB010083 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.761 -1.963 -0.140 0.00 0.00 +0.144 A ATOM 2 N LIG 1 0.833 -0.956 0.085 0.00 0.00 -0.315 N ATOM 3 C LIG 1 -0.380 -1.372 -0.427 0.00 0.00 +0.129 A ATOM 4 C LIG 1 -0.120 -2.641 -0.911 0.00 0.00 +0.184 A ATOM 5 N LIG 1 -1.040 -3.445 -1.467 0.00 0.00 -0.200 NA ATOM 6 C LIG 1 -2.259 -2.871 -1.480 0.00 0.00 +0.242 A ATOM 7 N LIG 1 -2.607 -1.647 -1.035 0.00 0.00 -0.205 NA ATOM 8 C LIG 1 -1.666 -0.845 -0.502 0.00 0.00 +0.149 A ATOM 9 N LIG 1 1.183 -2.989 -0.739 0.00 0.00 -0.208 NA ENDROOT BRANCH 1 13 ATOM 10 C LIG 1 5.478 -4.191 2.330 0.00 0.00 +0.044 C ATOM 11 C LIG 1 4.973 -3.038 1.515 0.00 0.00 -0.050 A ATOM 12 C LIG 1 3.643 -3.010 1.074 0.00 0.00 +0.015 A ATOM 13 C LIG 1 3.163 -1.953 0.286 0.00 0.00 +0.018 A ATOM 14 C LIG 1 4.048 -0.938 -0.095 0.00 0.00 +0.011 A ATOM 15 C LIG 1 5.378 -0.964 0.328 0.00 0.00 +0.001 A ATOM 16 C LIG 1 5.838 -2.009 1.129 0.00 0.00 +0.003 A ENDBRANCH 1 13 BRANCH 6 17 ATOM 17 C LIG 1 -3.342 -3.727 -2.081 0.00 0.00 +0.375 C ATOM 18 O LIG 1 -4.513 -3.416 -2.209 0.00 0.00 -0.242 OA BRANCH 17 19 ATOM 19 O LIG 1 -2.844 -4.932 -2.482 0.00 0.00 -0.475 OA ATOM 20 H LIG 1 -1.878 -4.980 -2.289 0.00 0.00 +0.296 HD ENDBRANCH 17 19 ENDBRANCH 6 17 BRANCH 8 21 ATOM 21 N LIG 1 -1.984 0.434 -0.051 0.00 0.00 -0.324 N ATOM 22 H LIG 1 -1.292 1.100 -0.381 0.00 0.00 +0.148 HD BRANCH 21 23 ATOM 23 C LIG 1 -3.362 0.910 -0.267 0.00 0.00 +0.071 C ATOM 24 C LIG 1 -3.324 2.443 -0.342 0.00 0.00 +0.028 C BRANCH 23 25 ATOM 25 C LIG 1 -4.296 0.372 0.853 0.00 0.00 +0.003 C ATOM 26 C LIG 1 -3.963 0.921 2.244 0.00 0.00 +0.009 C ATOM 27 C LIG 1 -5.770 0.634 0.529 0.00 0.00 +0.009 C ENDBRANCH 23 25 ENDBRANCH 21 23 ENDBRANCH 8 21 BRANCH 2 28 ATOM 28 C LIG 1 1.050 0.244 0.884 0.00 0.00 +0.159 C BRANCH 28 29 ATOM 29 C LIG 1 1.113 1.530 0.084 0.00 0.00 -0.028 A ATOM 30 C LIG 1 1.403 1.581 -1.288 0.00 0.00 +0.006 A ATOM 31 C LIG 1 1.443 2.804 -1.965 0.00 0.00 +0.013 A ATOM 32 C LIG 1 1.210 4.007 -1.286 0.00 0.00 +0.055 A ATOM 33 C LIG 1 0.925 3.961 0.084 0.00 0.00 +0.013 A ATOM 34 C LIG 1 0.885 2.739 0.760 0.00 0.00 +0.006 A BRANCH 32 35 ATOM 35 C LIG 1 1.230 5.324 -2.024 0.00 0.00 +0.417 C ATOM 36 F LIG 1 1.623 6.368 -1.242 0.00 0.00 -0.166 F ATOM 37 F LIG 1 2.071 5.324 -3.095 0.00 0.00 -0.166 F ATOM 38 F LIG 1 0.003 5.660 -2.509 0.00 0.00 -0.166 F ENDBRANCH 32 35 ENDBRANCH 28 29 ENDBRANCH 2 28 TORSDOF 9