REMARK Name = BDB035297 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.920 -1.777 0.136 0.00 0.00 +0.051 A ATOM 2 C LIG 1 -1.841 -3.173 0.217 0.00 0.00 +0.038 A ATOM 3 C LIG 1 -2.965 -3.982 -0.015 0.00 0.00 +0.057 A ATOM 4 C LIG 1 -4.182 -3.375 -0.357 0.00 0.00 +0.021 A ATOM 5 C LIG 1 -4.301 -1.981 -0.469 0.00 0.00 -0.015 A ATOM 6 C LIG 1 -3.154 -1.203 -0.225 0.00 0.00 +0.034 A ENDROOT BRANCH 1 14 ATOM 7 C LIG 1 3.571 0.519 0.838 0.00 0.00 +0.031 A ATOM 8 N LIG 1 2.921 -0.593 0.342 0.00 0.00 -0.353 N ATOM 9 H LIG 1 3.379 -1.371 -0.120 0.00 0.00 +0.166 HD ATOM 10 C LIG 1 1.572 -0.452 0.521 0.00 0.00 +0.114 A ATOM 11 C LIG 1 1.360 0.760 1.138 0.00 0.00 +0.024 A ATOM 12 C LIG 1 0.021 1.137 1.434 0.00 0.00 +0.078 A ATOM 13 C LIG 1 -0.983 0.302 1.092 0.00 0.00 +0.114 A ATOM 14 N LIG 1 -0.787 -0.941 0.451 0.00 0.00 -0.281 N ATOM 15 C LIG 1 0.537 -1.385 0.128 0.00 0.00 +0.280 A ATOM 16 O LIG 1 0.819 -2.428 -0.455 0.00 0.00 -0.265 OA ATOM 17 C LIG 1 2.610 1.379 1.345 0.00 0.00 +0.034 A BRANCH 12 18 ATOM 18 C LIG 1 -0.256 2.362 2.109 0.00 0.00 +0.101 C ATOM 19 N LIG 1 -0.504 3.351 2.665 0.00 0.00 -0.191 NA ENDBRANCH 12 18 BRANCH 7 20 ATOM 20 C LIG 1 5.061 0.633 0.784 0.00 0.00 +0.137 C BRANCH 20 24 ATOM 21 C LIG 1 9.399 0.711 -0.322 0.00 0.00 +0.009 C ATOM 22 C LIG 1 7.921 1.101 -0.345 0.00 0.00 +0.000 C ATOM 23 C LIG 1 7.030 -0.152 -0.414 0.00 0.00 +0.088 C ATOM 24 N LIG 1 5.589 0.136 -0.494 0.00 0.00 -0.296 NA ATOM 25 C LIG 1 5.307 1.036 -1.625 0.00 0.00 +0.085 C ATOM 26 C LIG 1 6.134 2.325 -1.630 0.00 0.00 +0.016 C ATOM 27 C LIG 1 7.627 2.029 -1.528 0.00 0.00 +0.006 C ENDBRANCH 20 24 ENDBRANCH 7 20 ENDBRANCH 1 14 BRANCH 5 28 ATOM 28 C LIG 1 -5.591 -1.369 -0.855 0.00 0.00 -0.006 A ATOM 29 C LIG 1 -6.243 -0.359 -0.108 0.00 0.00 +0.047 A ATOM 30 C LIG 1 -7.481 0.162 -0.518 0.00 0.00 +0.052 A ATOM 31 C LIG 1 -8.064 -0.299 -1.688 0.00 0.00 +0.124 A ATOM 32 F LIG 1 -9.240 0.206 -2.081 0.00 0.00 -0.205 F ATOM 33 C LIG 1 -7.445 -1.272 -2.457 0.00 0.00 +0.039 A ATOM 34 C LIG 1 -6.221 -1.802 -2.042 0.00 0.00 +0.012 A BRANCH 29 35 ATOM 35 C LIG 1 -5.668 0.174 1.153 0.00 0.00 +0.247 C ATOM 36 N LIG 1 -5.519 1.541 1.229 0.00 0.00 -0.292 N ATOM 37 C LIG 1 -5.364 2.539 0.178 0.00 0.00 +0.146 C ATOM 38 C LIG 1 -4.151 3.063 0.965 0.00 0.00 +0.200 C ATOM 39 F LIG 1 -2.946 2.672 0.477 0.00 0.00 -0.242 F ATOM 40 C LIG 1 -4.675 2.266 2.173 0.00 0.00 +0.146 C ATOM 41 O LIG 1 -5.357 -0.588 2.061 0.00 0.00 -0.270 OA ENDBRANCH 29 35 ENDBRANCH 5 28 BRANCH 3 42 ATOM 42 C LIG 1 -2.855 -5.483 0.079 0.00 0.00 +0.418 C ATOM 43 F LIG 1 -2.462 -6.047 -1.096 0.00 0.00 -0.166 F ATOM 44 F LIG 1 -4.035 -6.085 0.401 0.00 0.00 -0.166 F ATOM 45 F LIG 1 -1.960 -5.900 1.016 0.00 0.00 -0.166 F ENDBRANCH 3 42 TORSDOF 7