REMARK Name = BDB058254 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.310 -0.281 0.293 0.00 0.00 -0.015 A ATOM 2 C LIG 1 4.903 -1.363 -0.501 0.00 0.00 +0.012 A ATOM 3 C LIG 1 3.600 -1.396 -0.977 0.00 0.00 -0.041 A ATOM 4 C LIG 1 2.977 -2.433 -1.861 0.00 0.00 +0.038 C ATOM 5 C LIG 1 1.480 -2.129 -1.699 0.00 0.00 +0.045 C ATOM 6 C LIG 1 1.379 -0.633 -1.361 0.00 0.00 +0.138 C ATOM 7 C LIG 1 0.126 -0.303 -0.545 0.00 0.00 +0.251 C ATOM 8 O LIG 1 -0.164 -0.742 0.560 0.00 0.00 -0.272 OA ATOM 9 N LIG 1 -0.623 0.580 -1.275 0.00 0.00 -0.215 N ATOM 10 C LIG 1 -0.010 0.883 -2.452 0.00 0.00 +0.310 C ATOM 11 O LIG 1 -0.410 1.648 -3.313 0.00 0.00 -0.252 OA ATOM 12 N LIG 1 1.179 0.199 -2.516 0.00 0.00 -0.281 N ATOM 13 H LIG 1 1.820 0.310 -3.289 0.00 0.00 +0.152 HD ATOM 14 C LIG 1 2.695 -0.366 -0.692 0.00 0.00 -0.012 A ATOM 15 C LIG 1 3.083 0.719 0.077 0.00 0.00 +0.007 A ATOM 16 C LIG 1 4.392 0.753 0.573 0.00 0.00 +0.009 A ENDROOT BRANCH 1 21 ATOM 17 C LIG 1 9.262 0.607 3.168 0.00 0.00 +0.172 C ATOM 18 N LIG 1 8.404 0.171 2.094 0.00 0.00 -0.274 N ATOM 19 N LIG 1 8.931 -0.511 1.062 0.00 0.00 -0.179 NA ATOM 20 C LIG 1 7.875 -0.756 0.281 0.00 0.00 +0.142 A ATOM 21 C LIG 1 6.670 -0.229 0.803 0.00 0.00 +0.020 A ATOM 22 C LIG 1 7.057 0.365 1.988 0.00 0.00 +0.116 A ENDBRANCH 1 21 BRANCH 9 23 ATOM 23 C LIG 1 -1.940 1.039 -0.902 0.00 0.00 +0.213 C BRANCH 23 24 ATOM 24 C LIG 1 -2.986 0.025 -1.385 0.00 0.00 +0.234 C ATOM 25 N LIG 1 -4.317 0.267 -1.062 0.00 0.00 -0.281 N ATOM 26 C LIG 1 -5.322 -0.765 -1.442 0.00 0.00 +0.218 C ATOM 27 C LIG 1 -6.496 -0.817 -0.458 0.00 0.00 +0.260 C ATOM 28 O LIG 1 -6.041 -1.064 0.874 0.00 0.00 -0.489 OA ATOM 29 C LIG 1 -5.642 0.027 1.599 0.00 0.00 +0.125 A ATOM 30 C LIG 1 -5.071 1.207 1.089 0.00 0.00 +0.014 A ATOM 31 C LIG 1 -4.737 2.231 1.997 0.00 0.00 +0.047 A ATOM 32 C LIG 1 -4.927 2.059 3.365 0.00 0.00 +0.124 A ATOM 33 C LIG 1 -5.451 0.880 3.868 0.00 0.00 +0.042 A ATOM 34 F LIG 1 -4.591 3.046 4.204 0.00 0.00 -0.205 F ATOM 35 C LIG 1 -5.805 -0.136 2.983 0.00 0.00 +0.049 A ATOM 36 C LIG 1 -4.810 1.455 -0.375 0.00 0.00 +0.147 C ATOM 37 O LIG 1 -2.666 -0.981 -2.023 0.00 0.00 -0.274 OA BRANCH 26 38 ATOM 38 C LIG 1 -5.883 -0.577 -2.856 0.00 0.00 +0.411 C ATOM 39 F LIG 1 -4.922 -0.530 -3.800 0.00 0.00 -0.168 F ATOM 40 F LIG 1 -6.728 -1.582 -3.183 0.00 0.00 -0.168 F ATOM 41 F LIG 1 -6.588 0.579 -2.941 0.00 0.00 -0.168 F ENDBRANCH 26 38 ENDBRANCH 23 24 ENDBRANCH 9 23 TORSDOF 4