REMARK Name = BDB046603 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.631 -1.268 0.838 0.00 0.00 +0.114 C ATOM 2 C LIG 1 -1.532 -0.773 -0.322 0.00 0.00 +0.095 C ATOM 3 C LIG 1 -2.909 -1.443 -0.252 0.00 0.00 +0.081 A ATOM 4 C LIG 1 -3.000 -2.755 0.411 0.00 0.00 +0.032 A ATOM 5 C LIG 1 -4.230 -3.401 0.431 0.00 0.00 +0.051 A ATOM 6 C LIG 1 -5.387 -2.734 -0.182 0.00 0.00 +0.273 A ATOM 7 N LIG 1 -5.141 -1.512 -0.761 0.00 0.00 -0.242 N ATOM 8 H LIG 1 -5.921 -1.041 -1.207 0.00 0.00 +0.192 HD ATOM 9 O LIG 1 -6.500 -3.249 -0.170 0.00 0.00 -0.266 OA ATOM 10 C LIG 1 -4.351 -4.667 1.009 0.00 0.00 +0.014 A ATOM 11 C LIG 1 -3.223 -5.284 1.545 0.00 0.00 +0.003 A ATOM 12 C LIG 1 -1.987 -4.630 1.517 0.00 0.00 +0.023 A ATOM 13 C LIG 1 -1.866 -3.340 0.984 0.00 0.00 +0.037 A ATOM 14 N LIG 1 -3.937 -0.878 -0.819 0.00 0.00 -0.175 NA ATOM 15 N LIG 1 -0.605 -2.737 0.909 0.00 0.00 -0.336 N ATOM 16 H LIG 1 0.041 -3.074 1.622 0.00 0.00 +0.147 HD ENDROOT BRANCH 1 20 ATOM 17 C LIG 1 3.450 0.184 0.432 0.00 0.00 -0.033 A ATOM 18 C LIG 1 2.609 0.683 1.435 0.00 0.00 +0.005 A ATOM 19 C LIG 1 1.303 0.203 1.571 0.00 0.00 +0.006 A ATOM 20 C LIG 1 0.810 -0.787 0.708 0.00 0.00 -0.026 A ATOM 21 C LIG 1 1.658 -1.290 -0.291 0.00 0.00 +0.006 A ATOM 22 C LIG 1 2.963 -0.812 -0.425 0.00 0.00 +0.005 A BRANCH 17 23 ATOM 23 C LIG 1 4.864 0.705 0.278 0.00 0.00 +0.119 C BRANCH 23 25 ATOM 24 C LIG 1 6.565 1.541 -1.203 0.00 0.00 +0.104 C ATOM 25 N LIG 1 5.132 1.289 -1.049 0.00 0.00 -0.304 NA ATOM 26 C LIG 1 4.384 2.534 -1.247 0.00 0.00 +0.104 C ENDBRANCH 23 25 ENDBRANCH 17 23 ENDBRANCH 1 20 BRANCH 2 27 ATOM 27 C LIG 1 -1.614 0.755 -0.340 0.00 0.00 -0.036 A ATOM 28 C LIG 1 -2.329 1.466 0.637 0.00 0.00 +0.005 A ATOM 29 C LIG 1 -2.355 2.862 0.625 0.00 0.00 +0.012 A ATOM 30 C LIG 1 -1.656 3.581 -0.355 0.00 0.00 +0.055 A ATOM 31 C LIG 1 -0.947 2.873 -1.335 0.00 0.00 +0.012 A ATOM 32 C LIG 1 -0.924 1.476 -1.325 0.00 0.00 +0.005 A BRANCH 30 33 ATOM 33 C LIG 1 -1.698 5.088 -0.378 0.00 0.00 +0.417 C ATOM 34 F LIG 1 -1.843 5.637 0.861 0.00 0.00 -0.166 F ATOM 35 F LIG 1 -0.568 5.648 -0.898 0.00 0.00 -0.166 F ATOM 36 F LIG 1 -2.730 5.571 -1.123 0.00 0.00 -0.166 F ENDBRANCH 30 33 ENDBRANCH 2 27 TORSDOF 5