REMARK Name = BDB035924 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.419 -1.988 1.093 0.00 0.00 +0.121 C ENDROOT BRANCH 1 7 ATOM 2 C LIG 1 -5.432 -0.109 -2.568 0.00 0.00 +0.046 C ATOM 3 C LIG 1 -5.279 0.183 -1.093 0.00 0.00 -0.010 C ATOM 4 C LIG 1 -4.049 -0.363 -0.476 0.00 0.00 +0.071 A ATOM 5 C LIG 1 -3.808 -0.235 0.885 0.00 0.00 -0.014 A ATOM 6 C LIG 1 -2.620 -0.764 1.410 0.00 0.00 +0.012 A ATOM 7 C LIG 1 -1.701 -1.393 0.570 0.00 0.00 -0.015 A ATOM 8 C LIG 1 -2.029 -1.463 -0.776 0.00 0.00 +0.116 A ATOM 9 C LIG 1 -4.783 0.446 1.788 0.00 0.00 +0.116 C ATOM 10 C LIG 1 -6.002 1.020 1.110 0.00 0.00 +0.172 C ATOM 11 O LIG 1 -6.855 1.587 1.793 0.00 0.00 -0.292 OA ATOM 12 N LIG 1 -3.170 -0.966 -1.306 0.00 0.00 -0.255 NA ATOM 13 C LIG 1 -6.180 0.880 -0.362 0.00 0.00 +0.102 C BRANCH 13 14 ATOM 14 C LIG 1 -7.411 1.582 -0.840 0.00 0.00 +0.421 C ATOM 15 F LIG 1 -7.474 2.873 -0.419 0.00 0.00 -0.166 F ATOM 16 F LIG 1 -7.499 1.658 -2.196 0.00 0.00 -0.166 F ATOM 17 F LIG 1 -8.546 0.959 -0.429 0.00 0.00 -0.166 F ENDBRANCH 13 14 ENDBRANCH 1 7 BRANCH 1 18 ATOM 18 N LIG 1 0.780 -1.434 0.448 0.00 0.00 -0.295 NA ATOM 19 C LIG 1 1.972 -2.235 0.817 0.00 0.00 +0.103 C ATOM 20 C LIG 1 3.280 -1.695 0.197 0.00 0.00 +0.123 C ATOM 21 N LIG 1 3.466 -0.277 0.533 0.00 0.00 -0.297 N ATOM 22 C LIG 1 2.303 0.571 0.238 0.00 0.00 +0.123 C ATOM 23 C LIG 1 1.018 -0.027 0.856 0.00 0.00 +0.103 C BRANCH 21 24 ATOM 24 C LIG 1 4.678 0.254 0.088 0.00 0.00 +0.218 A ATOM 25 N LIG 1 4.788 1.584 -0.079 0.00 0.00 -0.222 NA ATOM 26 C LIG 1 5.977 2.080 -0.478 0.00 0.00 +0.128 A ATOM 27 C LIG 1 7.078 1.304 -0.727 0.00 0.00 +0.091 A ATOM 28 C LIG 1 6.888 -0.038 -0.522 0.00 0.00 +0.128 A ATOM 29 N LIG 1 5.716 -0.574 -0.124 0.00 0.00 -0.222 NA BRANCH 27 30 ATOM 30 C LIG 1 8.383 1.874 -1.139 0.00 0.00 +0.420 C ATOM 31 F LIG 1 9.173 2.187 -0.077 0.00 0.00 -0.166 F ATOM 32 F LIG 1 8.260 3.020 -1.863 0.00 0.00 -0.166 F ATOM 33 F LIG 1 9.115 1.025 -1.912 0.00 0.00 -0.166 F ENDBRANCH 27 30 ENDBRANCH 21 24 ENDBRANCH 1 18 TORSDOF 5