REMARK Name = BDB025763 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.882 3.225 0.300 0.00 0.00 +0.021 A ATOM 2 C LIG 1 0.518 3.310 0.230 0.00 0.00 +0.133 A ATOM 3 F LIG 1 1.125 4.506 0.297 0.00 0.00 -0.205 F ATOM 4 C LIG 1 1.326 2.184 0.082 0.00 0.00 +0.064 A ATOM 5 C LIG 1 0.751 0.915 -0.008 0.00 0.00 +0.054 A ATOM 6 C LIG 1 -0.657 0.803 0.053 0.00 0.00 +0.056 A ATOM 7 C LIG 1 -1.454 1.941 0.212 0.00 0.00 +0.036 A ENDROOT BRANCH 5 8 ATOM 8 N LIG 1 1.517 -0.269 -0.154 0.00 0.00 -0.325 N ATOM 9 C LIG 1 2.376 -0.293 -1.367 0.00 0.00 +0.123 C ATOM 10 C LIG 1 3.894 -0.360 -1.034 0.00 0.00 +0.071 C ATOM 11 C LIG 1 4.708 -0.263 -2.331 0.00 0.00 +0.026 C ATOM 12 N LIG 1 4.265 -1.476 -0.128 0.00 0.00 -0.297 NA ATOM 13 C LIG 1 4.899 -2.633 -0.741 0.00 0.00 +0.105 C ATOM 14 C LIG 1 3.208 -1.803 0.868 0.00 0.00 +0.071 C ATOM 15 C LIG 1 2.397 -3.080 0.578 0.00 0.00 +0.026 C ATOM 16 C LIG 1 2.233 -0.613 1.102 0.00 0.00 +0.123 C ENDBRANCH 5 8 BRANCH 1 22 ATOM 17 C LIG 1 -4.967 5.932 -0.807 0.00 0.00 +0.067 C ATOM 18 C LIG 1 -3.688 5.731 -0.058 0.00 0.00 +0.061 A ATOM 19 N LIG 1 -3.312 6.697 0.807 0.00 0.00 -0.155 NA ATOM 20 N LIG 1 -2.158 6.561 1.510 0.00 0.00 -0.157 NA ATOM 21 C LIG 1 -1.401 5.455 1.333 0.00 0.00 +0.143 A ATOM 22 C LIG 1 -1.730 4.423 0.461 0.00 0.00 +0.006 A ATOM 23 C LIG 1 -2.921 4.588 -0.252 0.00 0.00 +0.035 A ENDBRANCH 1 22 BRANCH 6 24 ATOM 24 N LIG 1 -1.164 -0.509 -0.056 0.00 0.00 -0.280 N ATOM 25 H LIG 1 -0.415 -1.195 -0.139 0.00 0.00 +0.155 HD ATOM 26 C LIG 1 -2.473 -0.911 -0.120 0.00 0.00 +0.250 C ATOM 27 O LIG 1 -3.474 -0.207 -0.134 0.00 0.00 -0.270 OA BRANCH 26 28 ATOM 28 C LIG 1 -2.603 -2.390 -0.244 0.00 0.00 +0.065 A ATOM 29 C LIG 1 -2.315 -3.322 0.841 0.00 0.00 +0.073 A ATOM 30 C LIG 1 -2.464 -4.644 0.628 0.00 0.00 +0.083 A ATOM 31 C LIG 1 -2.915 -5.153 -0.692 0.00 0.00 +0.249 A ATOM 32 O LIG 1 -3.035 -6.353 -0.901 0.00 0.00 -0.268 OA ATOM 33 N LIG 1 -3.179 -4.197 -1.640 0.00 0.00 -0.328 N ATOM 34 H LIG 1 -3.506 -4.542 -2.536 0.00 0.00 +0.168 HD ATOM 35 C LIG 1 -3.036 -2.848 -1.429 0.00 0.00 +0.099 A BRANCH 29 36 ATOM 36 C LIG 1 -1.898 -2.775 2.171 0.00 0.00 +0.418 C ATOM 37 F LIG 1 -2.739 -1.820 2.632 0.00 0.00 -0.166 F ATOM 38 F LIG 1 -0.656 -2.230 2.113 0.00 0.00 -0.166 F ATOM 39 F LIG 1 -1.843 -3.739 3.128 0.00 0.00 -0.166 F ENDBRANCH 29 36 ENDBRANCH 26 28 ENDBRANCH 6 24 TORSDOF 5