REMARK Name = BDB035833 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.975 -1.261 -0.638 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.186 -1.930 -1.041 0.00 0.00 +0.251 C ATOM 3 O LIG 1 0.409 -2.652 -1.996 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.230 -1.607 -0.061 0.00 0.00 +0.043 A ATOM 5 C LIG 1 2.550 -2.020 -0.039 0.00 0.00 +0.018 A ATOM 6 C LIG 1 3.364 -1.558 1.004 0.00 0.00 -0.032 A ATOM 7 C LIG 1 2.820 -0.689 1.981 0.00 0.00 +0.017 A ATOM 8 C LIG 1 1.473 -0.281 1.945 0.00 0.00 +0.061 A ATOM 9 C LIG 1 0.690 -0.761 0.900 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -0.747 -0.502 0.585 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -4.600 -0.516 -1.404 0.00 0.00 -0.032 A ATOM 12 C LIG 1 -3.322 -0.538 -0.794 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -2.237 -1.287 -1.294 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -2.451 -2.043 -2.448 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -3.696 -2.055 -3.077 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -4.748 -1.304 -2.560 0.00 0.00 +0.005 A BRANCH 11 19 ATOM 17 C LIG 1 -7.275 0.566 0.768 0.00 0.00 +0.120 C ATOM 18 C LIG 1 -7.069 -0.473 -0.356 0.00 0.00 +0.051 C ATOM 19 C LIG 1 -5.828 0.354 -0.844 0.00 0.00 +0.060 C ATOM 20 C LIG 1 -5.778 0.920 0.614 0.00 0.00 +0.051 C BRANCH 19 21 ATOM 21 C LIG 1 -6.214 1.485 -1.896 0.00 0.00 +0.144 A ATOM 22 N LIG 1 -5.404 2.460 -2.414 0.00 0.00 -0.320 N ATOM 23 C LIG 1 -4.014 2.699 -2.144 0.00 0.00 +0.151 C ATOM 24 C LIG 1 -6.182 3.177 -3.271 0.00 0.00 +0.224 A ATOM 25 N LIG 1 -7.397 2.682 -3.280 0.00 0.00 -0.138 NA ATOM 26 N LIG 1 -7.418 1.616 -2.414 0.00 0.00 -0.134 NA ENDBRANCH 19 21 BRANCH 17 28 ATOM 27 C LIG 1 -9.006 -0.344 2.196 0.00 0.00 +0.194 C ATOM 28 O LIG 1 -7.647 0.049 2.063 0.00 0.00 -0.380 OA ENDBRANCH 17 28 ENDBRANCH 11 19 ENDBRANCH 1 13 BRANCH 8 29 ATOM 29 C LIG 1 0.900 0.653 2.976 0.00 0.00 +0.418 C ATOM 30 F LIG 1 -0.202 0.132 3.583 0.00 0.00 -0.166 F ATOM 31 F LIG 1 0.493 1.831 2.427 0.00 0.00 -0.166 F ATOM 32 F LIG 1 1.764 0.977 3.974 0.00 0.00 -0.166 F ENDBRANCH 8 29 BRANCH 6 33 ATOM 33 C LIG 1 4.824 -1.946 1.065 0.00 0.00 +0.116 C BRANCH 33 34 ATOM 34 N LIG 1 5.659 -0.824 0.637 0.00 0.00 -0.311 NA ATOM 35 H LIG 1 5.387 -0.569 -0.312 0.00 0.00 +0.122 HD BRANCH 34 36 ATOM 36 C LIG 1 7.081 -1.179 0.671 0.00 0.00 +0.090 C BRANCH 36 37 ATOM 37 C LIG 1 8.022 0.004 0.339 0.00 0.00 +0.006 C ATOM 38 C LIG 1 7.723 0.768 -0.991 0.00 0.00 +0.010 C ATOM 39 C LIG 1 7.874 2.098 -0.232 0.00 0.00 +0.001 C ATOM 40 C LIG 1 7.719 1.336 1.096 0.00 0.00 +0.010 C BRANCH 37 41 ATOM 41 C LIG 1 9.479 -0.484 0.481 0.00 0.00 +0.164 C BRANCH 41 42 ATOM 42 O LIG 1 10.427 0.552 0.245 0.00 0.00 -0.394 OA ATOM 43 H LIG 1 10.433 0.738 -0.709 0.00 0.00 +0.209 HD ENDBRANCH 41 42 ENDBRANCH 37 41 ENDBRANCH 36 37 ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 6 33 TORSDOF 11