REMARK Name = BDB025658 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.034 -1.320 -0.544 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -1.535 -0.167 0.106 0.00 0.00 +0.056 A ATOM 3 C LIG 1 -0.187 -0.085 0.471 0.00 0.00 +0.036 A ATOM 4 C LIG 1 0.701 -1.148 0.214 0.00 0.00 +0.021 A ATOM 5 C LIG 1 0.180 -2.284 -0.425 0.00 0.00 +0.133 A ATOM 6 F LIG 1 0.973 -3.336 -0.688 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -1.159 -2.377 -0.802 0.00 0.00 +0.064 A ENDROOT BRANCH 1 12 ATOM 8 C LIG 1 -5.769 -3.747 -3.451 0.00 0.00 +0.105 C ATOM 9 N LIG 1 -5.590 -2.833 -2.325 0.00 0.00 -0.302 NA ATOM 10 C LIG 1 -5.061 -1.520 -2.757 0.00 0.00 +0.103 C ATOM 11 C LIG 1 -3.584 -1.262 -2.382 0.00 0.00 +0.120 C ATOM 12 N LIG 1 -3.401 -1.349 -0.911 0.00 0.00 -0.326 N ATOM 13 C LIG 1 -4.185 -2.433 -0.262 0.00 0.00 +0.120 C ATOM 14 C LIG 1 -4.744 -3.450 -1.282 0.00 0.00 +0.103 C ENDBRANCH 1 12 BRANCH 4 15 ATOM 15 C LIG 1 2.119 -1.062 0.606 0.00 0.00 +0.003 A ATOM 16 C LIG 1 2.514 -0.610 1.866 0.00 0.00 +0.119 A ATOM 17 N LIG 1 3.797 -0.508 2.292 0.00 0.00 -0.258 NA ATOM 18 C LIG 1 4.775 -0.864 1.424 0.00 0.00 +0.055 A ATOM 19 C LIG 1 4.488 -1.330 0.144 0.00 0.00 +0.025 A ATOM 20 C LIG 1 3.155 -1.427 -0.261 0.00 0.00 +0.012 A BRANCH 18 21 ATOM 21 C LIG 1 6.217 -0.738 1.892 0.00 0.00 +0.140 C BRANCH 21 22 ATOM 22 N LIG 1 6.800 0.610 1.746 0.00 0.00 -0.292 NA ATOM 23 C LIG 1 6.894 1.036 0.334 0.00 0.00 +0.113 C ATOM 24 C LIG 1 7.978 2.106 0.131 0.00 0.00 +0.175 C ATOM 25 O LIG 1 9.293 1.612 0.425 0.00 0.00 -0.377 OA ATOM 26 C LIG 1 9.302 0.613 1.456 0.00 0.00 +0.175 C ATOM 27 C LIG 1 8.109 0.720 2.420 0.00 0.00 +0.113 C ENDBRANCH 21 22 ENDBRANCH 18 21 ENDBRANCH 4 15 BRANCH 2 28 ATOM 28 N LIG 1 -2.487 0.847 0.349 0.00 0.00 -0.280 N ATOM 29 H LIG 1 -3.410 0.586 0.003 0.00 0.00 +0.155 HD ATOM 30 C LIG 1 -2.313 2.033 1.016 0.00 0.00 +0.250 C ATOM 31 O LIG 1 -1.290 2.451 1.542 0.00 0.00 -0.270 OA BRANCH 30 32 ATOM 32 C LIG 1 -3.575 2.819 1.125 0.00 0.00 +0.065 A ATOM 33 C LIG 1 -4.258 3.433 -0.009 0.00 0.00 +0.073 A ATOM 34 C LIG 1 -5.389 4.135 0.207 0.00 0.00 +0.083 A ATOM 35 C LIG 1 -5.941 4.281 1.577 0.00 0.00 +0.249 A ATOM 36 O LIG 1 -6.977 4.901 1.780 0.00 0.00 -0.268 OA ATOM 37 N LIG 1 -5.217 3.683 2.578 0.00 0.00 -0.328 N ATOM 38 H LIG 1 -5.583 3.798 3.517 0.00 0.00 +0.168 HD ATOM 39 C LIG 1 -4.060 2.975 2.368 0.00 0.00 +0.099 A BRANCH 33 40 ATOM 40 C LIG 1 -3.661 3.300 -1.374 0.00 0.00 +0.418 C ATOM 41 F LIG 1 -4.275 4.101 -2.286 0.00 0.00 -0.166 F ATOM 42 F LIG 1 -3.784 2.032 -1.845 0.00 0.00 -0.166 F ATOM 43 F LIG 1 -2.346 3.618 -1.407 0.00 0.00 -0.166 F ENDBRANCH 33 40 ENDBRANCH 30 32 ENDBRANCH 2 28 TORSDOF 7