REMARK Name = BDB025790 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.889 -1.038 0.186 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -0.457 0.278 -0.110 0.00 0.00 +0.056 A ATOM 3 C LIG 1 0.899 0.553 -0.326 0.00 0.00 +0.036 A ATOM 4 C LIG 1 1.870 -0.463 -0.249 0.00 0.00 +0.022 A ATOM 5 C LIG 1 1.417 -1.758 0.049 0.00 0.00 +0.133 A ATOM 6 F LIG 1 2.292 -2.771 0.146 0.00 0.00 -0.205 F ATOM 7 C LIG 1 0.069 -2.049 0.262 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 -2.908 -4.256 -0.840 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -3.790 -3.003 -0.751 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -4.645 -3.115 0.458 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 -6.046 -2.835 0.133 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -4.181 -2.265 1.587 0.00 0.00 +0.071 C ATOM 13 C LIG 1 -4.569 -2.923 2.915 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -2.651 -2.009 1.579 0.00 0.00 +0.123 C ATOM 15 N LIG 1 -2.270 -1.274 0.359 0.00 0.00 -0.325 N ATOM 16 C LIG 1 -2.954 -1.700 -0.885 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 3.294 -0.172 -0.469 0.00 0.00 +0.021 A ATOM 18 C LIG 1 3.928 0.958 0.009 0.00 0.00 +0.124 A ATOM 19 N LIG 1 5.234 1.251 -0.181 0.00 0.00 -0.222 NA ATOM 20 C LIG 1 5.976 0.383 -0.887 0.00 0.00 +0.218 A ATOM 21 N LIG 1 5.458 -0.743 -1.399 0.00 0.00 -0.222 NA ATOM 22 C LIG 1 4.147 -0.993 -1.180 0.00 0.00 +0.124 A BRANCH 20 23 ATOM 23 N LIG 1 7.304 0.678 -1.117 0.00 0.00 -0.295 N ATOM 24 C LIG 1 8.215 -0.404 -1.502 0.00 0.00 +0.136 C ATOM 25 C LIG 1 9.401 -0.465 -0.526 0.00 0.00 +0.179 C ATOM 26 O LIG 1 10.156 0.755 -0.448 0.00 0.00 -0.377 OA ATOM 27 C LIG 1 9.371 1.930 -0.708 0.00 0.00 +0.179 C ATOM 28 C LIG 1 7.887 1.774 -0.341 0.00 0.00 +0.136 C ENDBRANCH 20 23 ENDBRANCH 4 17 BRANCH 2 29 ATOM 29 N LIG 1 -1.474 1.255 -0.137 0.00 0.00 -0.280 N ATOM 30 H LIG 1 -2.384 0.845 0.056 0.00 0.00 +0.155 HD ATOM 31 C LIG 1 -1.370 2.600 -0.406 0.00 0.00 +0.248 C ATOM 32 O LIG 1 -0.358 3.199 -0.747 0.00 0.00 -0.270 OA BRANCH 31 33 ATOM 33 C LIG 1 -2.644 3.366 -0.290 0.00 0.00 +0.040 A ATOM 34 C LIG 1 -3.642 3.017 0.634 0.00 0.00 +0.025 A ATOM 35 C LIG 1 -4.837 3.756 0.713 0.00 0.00 +0.058 A ATOM 36 C LIG 1 -5.003 4.865 -0.128 0.00 0.00 +0.050 A ATOM 37 C LIG 1 -3.999 5.215 -1.026 0.00 0.00 +0.125 A ATOM 38 F LIG 1 -4.173 6.279 -1.820 0.00 0.00 -0.205 F ATOM 39 C LIG 1 -2.823 4.481 -1.114 0.00 0.00 +0.051 A BRANCH 35 40 ATOM 40 C LIG 1 -5.901 3.384 1.716 0.00 0.00 +0.418 C ATOM 41 F LIG 1 -5.679 3.940 2.936 0.00 0.00 -0.166 F ATOM 42 F LIG 1 -7.150 3.772 1.341 0.00 0.00 -0.166 F ATOM 43 F LIG 1 -5.975 2.039 1.923 0.00 0.00 -0.166 F ENDBRANCH 35 40 ENDBRANCH 31 33 ENDBRANCH 2 29 TORSDOF 6