REMARK Name = BDB035654 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.706 -0.089 -0.759 0.00 0.00 -0.263 N ATOM 2 C LIG 1 -0.468 -0.499 -1.403 0.00 0.00 +0.251 C ATOM 3 O LIG 1 -0.662 -1.336 -2.265 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -1.567 0.291 -0.835 0.00 0.00 +0.043 A ATOM 5 C LIG 1 -2.914 0.247 -1.147 0.00 0.00 +0.018 A ATOM 6 C LIG 1 -3.775 1.110 -0.455 0.00 0.00 -0.032 A ATOM 7 C LIG 1 -3.248 1.979 0.533 0.00 0.00 +0.014 A ATOM 8 C LIG 1 -1.875 2.008 0.837 0.00 0.00 +0.023 A ATOM 9 C LIG 1 -1.047 1.145 0.128 0.00 0.00 -0.009 A ATOM 10 C LIG 1 0.430 0.948 0.227 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 4.430 -0.551 -0.476 0.00 0.00 -0.035 A ATOM 12 C LIG 1 3.112 -0.094 -0.257 0.00 0.00 +0.028 A ATOM 13 C LIG 1 2.021 -0.574 -1.004 0.00 0.00 +0.037 A ATOM 14 C LIG 1 2.281 -1.533 -1.987 0.00 0.00 +0.023 A ATOM 15 C LIG 1 3.579 -1.995 -2.222 0.00 0.00 +0.002 A ATOM 16 C LIG 1 4.646 -1.509 -1.473 0.00 0.00 +0.004 A BRANCH 11 17 ATOM 17 C LIG 1 5.568 -0.004 0.379 0.00 0.00 +0.094 C BRANCH 17 20 ATOM 18 C LIG 1 4.956 -2.340 2.367 0.00 0.00 +0.151 C ATOM 19 N LIG 1 6.214 -2.084 1.718 0.00 0.00 -0.320 N ATOM 20 C LIG 1 6.522 -1.075 0.838 0.00 0.00 +0.141 A ATOM 21 N LIG 1 7.780 -1.222 0.467 0.00 0.00 -0.134 NA ATOM 22 N LIG 1 8.294 -2.323 1.105 0.00 0.00 -0.138 NA ATOM 23 C LIG 1 7.343 -2.832 1.849 0.00 0.00 +0.224 A ENDBRANCH 17 20 BRANCH 17 24 ATOM 24 C LIG 1 6.322 1.146 -0.296 0.00 0.00 +0.055 C ATOM 25 C LIG 1 5.568 2.282 -1.009 0.00 0.00 +0.166 C ATOM 26 O LIG 1 6.557 2.301 -2.071 0.00 0.00 -0.379 OA ATOM 27 C LIG 1 7.037 0.993 -1.650 0.00 0.00 +0.166 C ENDBRANCH 17 24 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 28 ATOM 28 C LIG 1 -1.316 2.919 1.892 0.00 0.00 +0.372 C ATOM 29 F LIG 1 -0.340 3.732 1.397 0.00 0.00 -0.204 F ATOM 30 F LIG 1 -0.726 2.221 2.903 0.00 0.00 -0.204 F ENDBRANCH 8 28 BRANCH 6 31 ATOM 31 C LIG 1 -5.262 1.103 -0.741 0.00 0.00 +0.116 C BRANCH 31 32 ATOM 32 N LIG 1 -5.993 0.549 0.399 0.00 0.00 -0.307 NA ATOM 33 H LIG 1 -5.548 -0.330 0.666 0.00 0.00 +0.123 HD BRANCH 32 34 ATOM 34 C LIG 1 -7.444 0.433 0.141 0.00 0.00 +0.017 C ATOM 35 C LIG 1 -8.064 -0.307 1.364 0.00 0.00 +0.022 C ATOM 36 C LIG 1 -7.869 -1.642 0.619 0.00 0.00 +0.004 C ATOM 37 C LIG 1 -7.745 -0.843 -0.693 0.00 0.00 +0.022 C ATOM 38 C LIG 1 -8.138 1.729 -0.228 0.00 0.00 +0.027 C ENDBRANCH 32 34 ENDBRANCH 31 32 ENDBRANCH 6 31 TORSDOF 8