REMARK Name = BDB027285 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.159 -0.067 0.991 0.00 0.00 +0.053 A ATOM 2 C LIG 1 0.777 -0.218 -0.050 0.00 0.00 -0.003 A ATOM 3 C LIG 1 1.653 0.850 -0.333 0.00 0.00 +0.035 A ATOM 4 C LIG 1 1.635 2.008 0.443 0.00 0.00 +0.071 A ATOM 5 N LIG 1 0.761 2.155 1.462 0.00 0.00 -0.253 NA ATOM 6 C LIG 1 -0.086 1.129 1.712 0.00 0.00 +0.134 A ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 2.550 3.146 0.216 0.00 0.00 +0.003 A ATOM 8 C LIG 1 2.127 4.464 0.478 0.00 0.00 +0.051 A ATOM 9 C LIG 1 2.980 5.545 0.267 0.00 0.00 +0.159 A ATOM 10 F LIG 1 2.542 6.786 0.519 0.00 0.00 -0.202 F ATOM 11 C LIG 1 4.270 5.341 -0.202 0.00 0.00 +0.158 A ATOM 12 F LIG 1 5.089 6.382 -0.405 0.00 0.00 -0.202 F ATOM 13 C LIG 1 4.723 4.055 -0.461 0.00 0.00 +0.042 A ATOM 14 C LIG 1 3.869 2.966 -0.251 0.00 0.00 +0.013 A ENDBRANCH 4 7 BRANCH 1 17 ATOM 15 C LIG 1 -3.480 -0.279 0.799 0.00 0.00 +0.092 C ATOM 16 C LIG 1 -2.260 -1.127 0.329 0.00 0.00 +0.134 C ATOM 17 N LIG 1 -1.109 -1.055 1.254 0.00 0.00 -0.326 N ATOM 18 C LIG 1 -1.364 -1.440 2.652 0.00 0.00 +0.105 C ATOM 19 C LIG 1 -2.854 -1.419 2.994 0.00 0.00 +0.021 C ATOM 20 C LIG 1 -3.551 -0.221 2.351 0.00 0.00 +0.033 C BRANCH 15 21 ATOM 21 N LIG 1 -3.424 1.118 0.309 0.00 0.00 -0.318 NA ATOM 22 H LIG 1 -2.511 1.517 0.538 0.00 0.00 +0.119 HD ATOM 23 H LIG 1 -4.105 1.688 0.813 0.00 0.00 +0.119 HD ENDBRANCH 15 21 BRANCH 15 24 ATOM 24 C LIG 1 -4.755 -0.983 0.251 0.00 0.00 +0.157 C ATOM 25 O LIG 1 -5.331 -1.843 0.933 0.00 0.00 -0.295 OA BRANCH 24 27 ATOM 26 C LIG 1 -4.289 -0.660 -2.265 0.00 0.00 +0.015 C ATOM 27 C LIG 1 -5.318 -0.674 -1.143 0.00 0.00 +0.051 C ATOM 28 C LIG 1 -6.188 0.579 -1.138 0.00 0.00 +0.015 C ENDBRANCH 24 27 ENDBRANCH 15 24 ENDBRANCH 1 17 BRANCH 2 29 ATOM 29 C LIG 1 0.821 -1.506 -0.849 0.00 0.00 +0.161 C BRANCH 29 30 ATOM 30 N LIG 1 2.134 -1.825 -1.387 0.00 0.00 -0.310 N ATOM 31 C LIG 1 3.202 -2.312 -0.685 0.00 0.00 +0.166 A ATOM 32 C LIG 1 4.214 -2.437 -1.623 0.00 0.00 +0.147 A ATOM 33 C LIG 1 5.453 -2.903 -1.154 0.00 0.00 +0.147 A ATOM 34 N LIG 1 5.571 -3.215 0.157 0.00 0.00 -0.219 NA ATOM 35 C LIG 1 4.496 -3.042 0.957 0.00 0.00 +0.225 A ATOM 36 N LIG 1 3.768 -2.069 -2.879 0.00 0.00 -0.231 NA ATOM 37 N LIG 1 3.269 -2.595 0.625 0.00 0.00 -0.216 NA ATOM 38 C LIG 1 2.511 -1.721 -2.700 0.00 0.00 +0.202 A BRANCH 33 39 ATOM 39 N LIG 1 6.562 -3.075 -1.973 0.00 0.00 -0.341 N ATOM 40 H LIG 1 6.325 -3.167 -2.954 0.00 0.00 +0.144 HD ATOM 41 H LIG 1 7.220 -3.737 -1.584 0.00 0.00 +0.144 HD ENDBRANCH 33 39 ENDBRANCH 29 30 ENDBRANCH 2 29 TORSDOF 8