REMARK Name = BDB027484 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.593 0.192 0.589 0.00 0.00 +0.053 A ATOM 2 C LIG 1 -0.743 0.102 1.019 0.00 0.00 -0.003 A ATOM 3 C LIG 1 -1.587 1.225 0.903 0.00 0.00 +0.035 A ATOM 4 C LIG 1 -1.107 2.413 0.359 0.00 0.00 +0.071 A ATOM 5 N LIG 1 0.173 2.520 -0.054 0.00 0.00 -0.253 NA ATOM 6 C LIG 1 0.970 1.427 0.056 0.00 0.00 +0.134 A ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 -1.940 3.621 0.190 0.00 0.00 +0.003 A ATOM 8 C LIG 1 -1.363 4.903 0.283 0.00 0.00 +0.051 A ATOM 9 C LIG 1 -2.138 6.050 0.126 0.00 0.00 +0.159 A ATOM 10 F LIG 1 -1.558 7.254 0.229 0.00 0.00 -0.202 F ATOM 11 C LIG 1 -3.497 5.950 -0.131 0.00 0.00 +0.158 A ATOM 12 F LIG 1 -4.242 7.053 -0.281 0.00 0.00 -0.202 F ATOM 13 C LIG 1 -4.097 4.702 -0.239 0.00 0.00 +0.042 A ATOM 14 C LIG 1 -3.323 3.547 -0.082 0.00 0.00 +0.013 A ENDBRANCH 4 7 BRANCH 1 17 ATOM 15 C LIG 1 3.762 -0.682 -0.285 0.00 0.00 +0.033 C ATOM 16 C LIG 1 2.336 -1.240 -0.427 0.00 0.00 +0.111 C ATOM 17 N LIG 1 1.454 -0.901 0.708 0.00 0.00 -0.327 N ATOM 18 C LIG 1 2.023 -1.110 2.051 0.00 0.00 +0.123 C ATOM 19 C LIG 1 3.414 -0.457 2.202 0.00 0.00 +0.068 C ATOM 20 C LIG 1 4.349 -0.969 1.102 0.00 0.00 +0.027 C BRANCH 19 21 ATOM 21 N LIG 1 4.026 -0.725 3.509 0.00 0.00 -0.326 NA ATOM 22 H LIG 1 4.105 -1.729 3.666 0.00 0.00 +0.119 HD ATOM 23 H LIG 1 3.429 -0.362 4.252 0.00 0.00 +0.119 HD ENDBRANCH 19 21 BRANCH 15 24 ATOM 24 C LIG 1 4.678 -1.249 -1.377 0.00 0.00 +0.164 C BRANCH 24 26 ATOM 25 C LIG 1 4.974 -1.369 -3.713 0.00 0.00 +0.193 C ATOM 26 O LIG 1 4.151 -0.897 -2.654 0.00 0.00 -0.383 OA ENDBRANCH 24 26 ENDBRANCH 15 24 ENDBRANCH 1 17 BRANCH 2 27 ATOM 27 C LIG 1 -1.344 -1.190 1.517 0.00 0.00 +0.161 C BRANCH 27 28 ATOM 28 N LIG 1 -2.024 -1.895 0.448 0.00 0.00 -0.310 N ATOM 29 C LIG 1 -3.363 -1.855 0.176 0.00 0.00 +0.166 A ATOM 30 C LIG 1 -3.532 -2.725 -0.889 0.00 0.00 +0.147 A ATOM 31 C LIG 1 -4.841 -2.875 -1.379 0.00 0.00 +0.147 A ATOM 32 N LIG 1 -5.833 -2.159 -0.801 0.00 0.00 -0.219 NA ATOM 33 C LIG 1 -5.521 -1.354 0.237 0.00 0.00 +0.225 A ATOM 34 N LIG 1 -2.325 -3.280 -1.269 0.00 0.00 -0.231 NA ATOM 35 N LIG 1 -4.312 -1.132 0.796 0.00 0.00 -0.216 NA ATOM 36 C LIG 1 -1.443 -2.758 -0.443 0.00 0.00 +0.202 A BRANCH 31 37 ATOM 37 N LIG 1 -5.165 -3.709 -2.441 0.00 0.00 -0.341 N ATOM 38 H LIG 1 -4.369 -3.934 -3.029 0.00 0.00 +0.144 HD ATOM 39 H LIG 1 -6.022 -3.429 -2.897 0.00 0.00 +0.144 HD ENDBRANCH 31 37 ENDBRANCH 27 28 ENDBRANCH 2 27 TORSDOF 8