REMARK Name = BDB026093 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.672 -0.571 -0.241 0.00 0.00 +0.021 A ATOM 2 C LIG 1 0.104 -1.785 -0.649 0.00 0.00 +0.133 A ATOM 3 F LIG 1 0.889 -2.827 -0.963 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -1.277 -1.965 -0.747 0.00 0.00 +0.064 A ATOM 5 C LIG 1 -2.160 -0.932 -0.425 0.00 0.00 +0.054 A ATOM 6 C LIG 1 -1.599 0.322 -0.065 0.00 0.00 +0.056 A ATOM 7 C LIG 1 -0.211 0.483 0.048 0.00 0.00 +0.036 A ENDROOT BRANCH 5 8 ATOM 8 N LIG 1 -3.555 -1.083 -0.455 0.00 0.00 -0.326 N ATOM 9 C LIG 1 -4.231 -1.146 0.866 0.00 0.00 +0.123 C ATOM 10 C LIG 1 -4.571 -2.591 1.336 0.00 0.00 +0.071 C ATOM 11 C LIG 1 -3.337 -3.288 1.929 0.00 0.00 +0.026 C ATOM 12 N LIG 1 -5.282 -3.352 0.282 0.00 0.00 -0.300 NA ATOM 13 C LIG 1 -5.649 -4.705 0.683 0.00 0.00 +0.105 C ATOM 14 C LIG 1 -4.525 -3.355 -0.984 0.00 0.00 +0.103 C ATOM 15 C LIG 1 -4.181 -1.935 -1.486 0.00 0.00 +0.120 C ENDBRANCH 5 8 BRANCH 1 19 ATOM 16 C LIG 1 4.898 0.025 0.025 0.00 0.00 +0.121 A ATOM 17 N LIG 1 4.122 0.948 -0.579 0.00 0.00 -0.240 NA ATOM 18 C LIG 1 2.784 0.721 -0.649 0.00 0.00 +0.121 A ATOM 19 C LIG 1 2.130 -0.394 -0.133 0.00 0.00 +0.003 A ATOM 20 C LIG 1 2.949 -1.327 0.504 0.00 0.00 +0.013 A ATOM 21 C LIG 1 4.329 -1.117 0.586 0.00 0.00 +0.044 A BRANCH 16 27 ATOM 22 C LIG 1 9.423 -1.563 -1.126 0.00 0.00 +0.039 C ATOM 23 C LIG 1 8.584 -0.557 -0.350 0.00 0.00 +0.132 C ATOM 24 O LIG 1 8.959 0.760 -0.798 0.00 0.00 -0.374 OA ATOM 25 C LIG 1 8.209 1.760 -0.088 0.00 0.00 +0.179 C ATOM 26 C LIG 1 6.698 1.588 -0.303 0.00 0.00 +0.134 C ATOM 27 N LIG 1 6.288 0.232 0.127 0.00 0.00 -0.311 N ATOM 28 C LIG 1 7.074 -0.813 -0.567 0.00 0.00 +0.137 C ENDBRANCH 16 27 ENDBRANCH 1 19 BRANCH 6 29 ATOM 29 N LIG 1 -2.517 1.383 0.104 0.00 0.00 -0.280 N ATOM 30 H LIG 1 -3.466 1.110 -0.138 0.00 0.00 +0.155 HD ATOM 31 C LIG 1 -2.259 2.702 0.385 0.00 0.00 +0.250 C ATOM 32 O LIG 1 -1.171 3.232 0.572 0.00 0.00 -0.270 OA BRANCH 31 33 ATOM 33 C LIG 1 -3.494 3.543 0.415 0.00 0.00 +0.062 A ATOM 34 C LIG 1 -3.639 4.719 -0.439 0.00 0.00 +0.036 A ATOM 35 C LIG 1 -4.755 5.468 -0.350 0.00 0.00 +0.080 A ATOM 36 C LIG 1 -5.829 5.112 0.611 0.00 0.00 +0.249 A ATOM 37 O LIG 1 -6.849 5.781 0.706 0.00 0.00 -0.268 OA ATOM 38 N LIG 1 -5.597 3.996 1.377 0.00 0.00 -0.328 N ATOM 39 H LIG 1 -6.326 3.767 2.043 0.00 0.00 +0.168 HD ATOM 40 C LIG 1 -4.460 3.231 1.295 0.00 0.00 +0.099 A BRANCH 34 41 ATOM 41 C LIG 1 -2.535 5.034 -1.409 0.00 0.00 +0.372 C ATOM 42 F LIG 1 -2.365 4.006 -2.284 0.00 0.00 -0.204 F ATOM 43 F LIG 1 -2.844 6.119 -2.174 0.00 0.00 -0.204 F ENDBRANCH 34 41 ENDBRANCH 31 33 ENDBRANCH 6 29 TORSDOF 6