REMARK Name = BDB025983 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.549 -0.701 0.191 0.00 0.00 +0.022 A ATOM 2 C LIG 1 -0.027 -1.947 -0.091 0.00 0.00 +0.133 A ATOM 3 F LIG 1 0.753 -3.003 -0.369 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -1.409 -2.148 -0.092 0.00 0.00 +0.064 A ATOM 5 C LIG 1 -2.279 -1.098 0.193 0.00 0.00 +0.054 A ATOM 6 C LIG 1 -1.718 0.170 0.491 0.00 0.00 +0.056 A ATOM 7 C LIG 1 -0.329 0.358 0.480 0.00 0.00 +0.036 A ENDROOT BRANCH 5 8 ATOM 8 N LIG 1 -3.679 -1.229 0.186 0.00 0.00 -0.326 N ATOM 9 C LIG 1 -4.303 -1.005 -1.138 0.00 0.00 +0.123 C ATOM 10 C LIG 1 -4.499 -2.318 -1.952 0.00 0.00 +0.071 C ATOM 11 C LIG 1 -5.192 -1.955 -3.273 0.00 0.00 +0.026 C ATOM 12 N LIG 1 -5.269 -3.326 -1.172 0.00 0.00 -0.300 NA ATOM 13 C LIG 1 -5.456 -4.584 -1.898 0.00 0.00 +0.105 C ATOM 14 C LIG 1 -4.577 -3.595 0.109 0.00 0.00 +0.103 C ATOM 15 C LIG 1 -4.288 -2.334 0.951 0.00 0.00 +0.120 C ENDBRANCH 5 8 BRANCH 1 19 ATOM 16 C LIG 1 4.747 -0.117 0.183 0.00 0.00 +0.218 A ATOM 17 N LIG 1 4.014 0.451 1.153 0.00 0.00 -0.222 NA ATOM 18 C LIG 1 2.676 0.251 1.132 0.00 0.00 +0.124 A ATOM 19 C LIG 1 2.006 -0.501 0.188 0.00 0.00 +0.021 A ATOM 20 C LIG 1 2.854 -1.041 -0.757 0.00 0.00 +0.124 A ATOM 21 N LIG 1 4.196 -0.866 -0.783 0.00 0.00 -0.222 NA BRANCH 16 28 ATOM 22 C LIG 1 8.666 -0.428 1.889 0.00 0.00 +0.039 C ATOM 23 C LIG 1 8.227 0.858 1.191 0.00 0.00 +0.133 C ATOM 24 O LIG 1 8.878 0.901 -0.093 0.00 0.00 -0.371 OA ATOM 25 C LIG 1 7.975 0.872 -1.210 0.00 0.00 +0.133 C ATOM 26 C LIG 1 8.804 0.596 -2.458 0.00 0.00 +0.039 C ATOM 27 C LIG 1 6.860 -0.183 -1.042 0.00 0.00 +0.139 C ATOM 28 N LIG 1 6.114 0.056 0.194 0.00 0.00 -0.295 N ATOM 29 C LIG 1 6.688 0.999 1.150 0.00 0.00 +0.139 C ENDBRANCH 16 28 ENDBRANCH 1 19 BRANCH 6 30 ATOM 30 N LIG 1 -2.640 1.191 0.815 0.00 0.00 -0.280 N ATOM 31 H LIG 1 -3.605 0.869 0.761 0.00 0.00 +0.155 HD ATOM 32 C LIG 1 -2.378 2.465 1.252 0.00 0.00 +0.250 C ATOM 33 O LIG 1 -1.280 2.971 1.454 0.00 0.00 -0.270 OA BRANCH 32 34 ATOM 34 C LIG 1 -3.615 3.232 1.583 0.00 0.00 +0.062 A ATOM 35 C LIG 1 -4.613 3.655 0.605 0.00 0.00 +0.036 A ATOM 36 C LIG 1 -5.682 4.362 1.021 0.00 0.00 +0.080 A ATOM 37 C LIG 1 -5.851 4.711 2.455 0.00 0.00 +0.249 A ATOM 38 O LIG 1 -6.827 5.343 2.839 0.00 0.00 -0.268 OA ATOM 39 N LIG 1 -4.853 4.284 3.293 0.00 0.00 -0.328 N ATOM 40 H LIG 1 -4.955 4.536 4.270 0.00 0.00 +0.168 HD ATOM 41 C LIG 1 -3.757 3.570 2.875 0.00 0.00 +0.099 A BRANCH 35 42 ATOM 42 C LIG 1 -4.414 3.328 -0.842 0.00 0.00 +0.372 C ATOM 43 F LIG 1 -3.151 3.599 -1.257 0.00 0.00 -0.204 F ATOM 44 F LIG 1 -4.622 2.003 -1.065 0.00 0.00 -0.204 F ENDBRANCH 35 42 ENDBRANCH 32 34 ENDBRANCH 6 30 TORSDOF 6