REMARK Name = BDB035744 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.606 1.994 -0.259 0.00 0.00 -0.035 A ATOM 2 C LIG 1 2.410 1.252 -0.151 0.00 0.00 +0.028 A ATOM 3 C LIG 1 1.208 1.835 0.283 0.00 0.00 +0.037 A ATOM 4 C LIG 1 1.232 3.193 0.619 0.00 0.00 +0.023 A ATOM 5 C LIG 1 2.410 3.942 0.530 0.00 0.00 +0.002 A ATOM 6 C LIG 1 3.591 3.347 0.097 0.00 0.00 +0.004 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 0.019 1.060 0.373 0.00 0.00 -0.263 N ATOM 8 C LIG 1 -1.238 1.507 0.792 0.00 0.00 +0.251 C ATOM 9 O LIG 1 -1.621 2.602 1.161 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 -2.146 0.356 0.723 0.00 0.00 +0.043 A ATOM 11 C LIG 1 -3.493 0.302 1.036 0.00 0.00 +0.018 A ATOM 12 C LIG 1 -4.152 -0.925 0.884 0.00 0.00 -0.032 A ATOM 13 C LIG 1 -3.433 -2.049 0.406 0.00 0.00 +0.017 A ATOM 14 C LIG 1 -2.062 -1.976 0.095 0.00 0.00 +0.061 A ATOM 15 C LIG 1 -1.434 -0.746 0.266 0.00 0.00 -0.006 A ATOM 16 C LIG 1 -0.011 -0.357 0.025 0.00 0.00 +0.150 C BRANCH 14 17 ATOM 17 C LIG 1 -1.304 -3.170 -0.421 0.00 0.00 +0.418 C ATOM 18 F LIG 1 -2.027 -4.322 -0.425 0.00 0.00 -0.166 F ATOM 19 F LIG 1 -0.189 -3.428 0.316 0.00 0.00 -0.166 F ATOM 20 F LIG 1 -0.873 -2.989 -1.699 0.00 0.00 -0.166 F ENDBRANCH 14 17 BRANCH 12 21 ATOM 21 C LIG 1 -5.630 -1.044 1.187 0.00 0.00 +0.116 C BRANCH 21 22 ATOM 22 N LIG 1 -6.404 -1.013 -0.053 0.00 0.00 -0.307 NA ATOM 23 H LIG 1 -6.073 -0.232 -0.620 0.00 0.00 +0.123 HD BRANCH 22 24 ATOM 24 C LIG 1 -7.862 -1.011 0.186 0.00 0.00 +0.017 C ATOM 25 C LIG 1 -8.549 -0.809 -1.198 0.00 0.00 +0.022 C ATOM 26 C LIG 1 -8.553 0.711 -0.943 0.00 0.00 +0.004 C ATOM 27 C LIG 1 -8.348 0.417 0.557 0.00 0.00 +0.022 C ATOM 28 C LIG 1 -8.383 -2.191 0.982 0.00 0.00 +0.027 C ENDBRANCH 22 24 ENDBRANCH 21 22 ENDBRANCH 12 21 ENDBRANCH 3 7 BRANCH 1 29 ATOM 29 C LIG 1 4.905 1.343 -0.729 0.00 0.00 +0.090 C BRANCH 29 32 ATOM 30 C LIG 1 4.439 2.337 -3.640 0.00 0.00 +0.151 C ATOM 31 N LIG 1 4.501 0.964 -3.216 0.00 0.00 -0.320 N ATOM 32 C LIG 1 4.704 0.482 -1.945 0.00 0.00 +0.141 A ATOM 33 N LIG 1 4.655 -0.836 -1.996 0.00 0.00 -0.134 NA ATOM 34 N LIG 1 4.431 -1.215 -3.295 0.00 0.00 -0.138 NA ATOM 35 C LIG 1 4.341 -0.124 -4.017 0.00 0.00 +0.224 A ENDBRANCH 29 32 BRANCH 29 36 ATOM 36 C LIG 1 5.570 0.660 0.477 0.00 0.00 +0.009 C ATOM 37 C LIG 1 6.878 -0.145 0.253 0.00 0.00 +0.036 C ATOM 38 C LIG 1 6.429 -1.099 1.387 0.00 0.00 +0.128 C ATOM 39 C LIG 1 4.980 -0.616 1.138 0.00 0.00 +0.036 C BRANCH 38 40 ATOM 40 O LIG 1 6.948 -0.811 2.702 0.00 0.00 -0.288 OA BRANCH 40 41 ATOM 41 C LIG 1 8.197 -1.403 2.994 0.00 0.00 +0.525 C ATOM 42 F LIG 1 8.603 -1.004 4.215 0.00 0.00 -0.144 F ATOM 43 F LIG 1 8.085 -2.745 2.985 0.00 0.00 -0.144 F ATOM 44 F LIG 1 9.115 -1.025 2.083 0.00 0.00 -0.144 F ENDBRANCH 40 41 ENDBRANCH 38 40 ENDBRANCH 29 36 ENDBRANCH 1 29 TORSDOF 10