REMARK Name = BDB038674 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.523 1.078 0.337 0.00 0.00 +0.008 A ATOM 2 C LIG 1 -1.048 1.935 1.346 0.00 0.00 +0.054 A ATOM 3 C LIG 1 0.310 2.081 1.629 0.00 0.00 +0.002 A ATOM 4 C LIG 1 0.428 3.025 2.687 0.00 0.00 +0.027 A ATOM 5 C LIG 1 -0.841 3.422 3.035 0.00 0.00 +0.083 A ATOM 6 C LIG 1 1.250 1.334 0.889 0.00 0.00 +0.033 A ATOM 7 C LIG 1 0.831 0.447 -0.116 0.00 0.00 +0.038 A ATOM 8 N LIG 1 -1.724 2.761 2.223 0.00 0.00 -0.360 N ATOM 9 H LIG 1 -2.733 2.823 2.293 0.00 0.00 +0.165 HD ATOM 10 C LIG 1 -0.541 0.348 -0.375 0.00 0.00 +0.034 A ENDROOT BRANCH 7 11 ATOM 11 N LIG 1 1.787 -0.317 -0.844 0.00 0.00 -0.263 N ATOM 12 C LIG 1 1.516 -1.299 -1.803 0.00 0.00 +0.251 C ATOM 13 O LIG 1 0.462 -1.749 -2.215 0.00 0.00 -0.270 OA ATOM 14 C LIG 1 2.811 -1.787 -2.294 0.00 0.00 +0.042 A ATOM 15 C LIG 1 3.065 -2.749 -3.253 0.00 0.00 +0.013 A ATOM 16 C LIG 1 4.400 -3.034 -3.542 0.00 0.00 +0.001 A ATOM 17 C LIG 1 5.437 -2.359 -2.870 0.00 0.00 +0.013 A ATOM 18 C LIG 1 5.162 -1.383 -1.894 0.00 0.00 +0.060 A ATOM 19 C LIG 1 3.823 -1.112 -1.622 0.00 0.00 -0.006 A ATOM 20 C LIG 1 3.222 -0.146 -0.653 0.00 0.00 +0.150 C BRANCH 18 21 ATOM 21 C LIG 1 6.262 -0.655 -1.170 0.00 0.00 +0.418 C ATOM 22 F LIG 1 6.215 0.689 -1.382 0.00 0.00 -0.166 F ATOM 23 F LIG 1 6.185 -0.819 0.179 0.00 0.00 -0.166 F ATOM 24 F LIG 1 7.513 -1.050 -1.528 0.00 0.00 -0.166 F ENDBRANCH 18 21 ENDBRANCH 7 11 BRANCH 1 26 ATOM 25 C LIG 1 -3.946 0.539 0.920 0.00 0.00 +0.027 A ATOM 26 C LIG 1 -2.955 0.962 0.003 0.00 0.00 -0.005 A ATOM 27 C LIG 1 -3.367 1.300 -1.303 0.00 0.00 +0.009 A ATOM 28 C LIG 1 -4.707 1.237 -1.689 0.00 0.00 +0.001 A ATOM 29 C LIG 1 -5.673 0.841 -0.773 0.00 0.00 +0.001 A ATOM 30 C LIG 1 -5.295 0.500 0.523 0.00 0.00 +0.012 A BRANCH 25 33 ATOM 31 C LIG 1 -2.238 -1.904 1.929 0.00 0.00 +0.152 C ATOM 32 N LIG 1 -2.874 -0.886 2.721 0.00 0.00 -0.317 N ATOM 33 C LIG 1 -3.645 0.168 2.301 0.00 0.00 +0.164 A ATOM 34 N LIG 1 -4.090 0.805 3.371 0.00 0.00 -0.129 NA ATOM 35 N LIG 1 -3.579 0.189 4.488 0.00 0.00 -0.138 NA ATOM 36 C LIG 1 -2.849 -0.822 4.081 0.00 0.00 +0.225 A ENDBRANCH 25 33 ENDBRANCH 1 26 TORSDOF 4