REMARK Name = BDB038495 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.794 2.093 0.238 0.00 0.00 +0.061 A ATOM 2 N LIG 1 0.500 1.699 0.154 0.00 0.00 -0.235 NA ATOM 3 C LIG 1 0.824 0.493 -0.349 0.00 0.00 +0.129 A ATOM 4 C LIG 1 -0.162 -0.369 -0.810 0.00 0.00 +0.052 A ATOM 5 C LIG 1 -1.514 -0.025 -0.689 0.00 0.00 -0.012 A ATOM 6 C LIG 1 -1.816 1.233 -0.160 0.00 0.00 +0.033 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 2.181 0.109 -0.373 0.00 0.00 -0.248 N ATOM 8 C LIG 1 3.233 0.884 0.110 0.00 0.00 +0.253 C ATOM 9 O LIG 1 3.267 1.987 0.623 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 4.457 0.095 -0.091 0.00 0.00 +0.042 A ATOM 11 C LIG 1 5.761 0.434 0.216 0.00 0.00 +0.013 A ATOM 12 C LIG 1 6.755 -0.501 -0.067 0.00 0.00 +0.001 A ATOM 13 C LIG 1 6.424 -1.742 -0.645 0.00 0.00 +0.013 A ATOM 14 C LIG 1 5.091 -2.073 -0.960 0.00 0.00 +0.060 A ATOM 15 C LIG 1 4.113 -1.127 -0.664 0.00 0.00 -0.006 A ATOM 16 C LIG 1 2.631 -1.183 -0.860 0.00 0.00 +0.151 C BRANCH 14 17 ATOM 17 C LIG 1 4.740 -3.409 -1.559 0.00 0.00 +0.418 C ATOM 18 F LIG 1 4.233 -4.270 -0.637 0.00 0.00 -0.166 F ATOM 19 F LIG 1 5.804 -4.044 -2.123 0.00 0.00 -0.166 F ATOM 20 F LIG 1 3.802 -3.312 -2.541 0.00 0.00 -0.166 F ENDBRANCH 14 17 ENDBRANCH 3 7 BRANCH 5 21 ATOM 21 C LIG 1 -2.584 -0.967 -1.083 0.00 0.00 -0.007 A ATOM 22 C LIG 1 -2.651 -2.299 -0.599 0.00 0.00 +0.027 A ATOM 23 C LIG 1 -3.671 -3.158 -1.041 0.00 0.00 +0.012 A ATOM 24 C LIG 1 -4.641 -2.709 -1.935 0.00 0.00 +0.001 A ATOM 25 C LIG 1 -4.596 -1.402 -2.405 0.00 0.00 +0.001 A ATOM 26 C LIG 1 -3.578 -0.542 -1.987 0.00 0.00 +0.009 A BRANCH 22 27 ATOM 27 C LIG 1 -1.673 -2.833 0.347 0.00 0.00 +0.164 A ATOM 28 N LIG 1 -1.597 -2.534 1.684 0.00 0.00 -0.317 N ATOM 29 C LIG 1 -2.481 -1.702 2.454 0.00 0.00 +0.152 C ATOM 30 C LIG 1 -0.503 -3.187 2.161 0.00 0.00 +0.225 A ATOM 31 N LIG 1 0.062 -3.864 1.189 0.00 0.00 -0.138 NA ATOM 32 N LIG 1 -0.682 -3.654 0.052 0.00 0.00 -0.129 NA ENDBRANCH 22 27 ENDBRANCH 5 21 BRANCH 1 33 ATOM 33 C LIG 1 -1.107 3.471 0.812 0.00 0.00 +0.110 C ATOM 34 C LIG 1 -0.145 4.065 1.842 0.00 0.00 +0.026 C ATOM 35 C LIG 1 -1.474 3.547 2.295 0.00 0.00 +0.026 C BRANCH 33 36 ATOM 36 C LIG 1 -1.767 4.427 -0.131 0.00 0.00 +0.319 C ATOM 37 O LIG 1 -1.143 5.215 -0.828 0.00 0.00 -0.250 OA BRANCH 36 39 ATOM 38 C LIG 1 -3.802 5.202 -0.975 0.00 0.00 +0.280 C ATOM 39 O LIG 1 -3.125 4.299 -0.101 0.00 0.00 -0.467 OA ENDBRANCH 36 39 ENDBRANCH 33 36 ENDBRANCH 1 33 TORSDOF 7