REMARK Name = BDB025626 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.900 2.733 0.584 0.00 0.00 +0.022 A ATOM 2 C LIG 1 0.428 3.038 0.247 0.00 0.00 +0.133 A ATOM 3 F LIG 1 0.847 4.313 0.242 0.00 0.00 -0.205 F ATOM 4 C LIG 1 1.352 2.054 -0.102 0.00 0.00 +0.064 A ATOM 5 C LIG 1 0.970 0.711 -0.128 0.00 0.00 +0.054 A ATOM 6 C LIG 1 -0.361 0.376 0.211 0.00 0.00 +0.056 A ATOM 7 C LIG 1 -1.276 1.376 0.562 0.00 0.00 +0.036 A ENDROOT BRANCH 1 12 ATOM 8 C LIG 1 -4.663 6.779 2.025 0.00 0.00 +0.088 C ATOM 9 C LIG 1 -3.669 5.734 1.626 0.00 0.00 +0.126 A ATOM 10 N LIG 1 -4.092 4.741 0.825 0.00 0.00 -0.240 NA ATOM 11 C LIG 1 -3.178 3.796 0.506 0.00 0.00 +0.123 A ATOM 12 C LIG 1 -1.865 3.782 0.948 0.00 0.00 +0.021 A ATOM 13 C LIG 1 -1.559 4.854 1.771 0.00 0.00 +0.123 A ATOM 14 N LIG 1 -2.426 5.828 2.129 0.00 0.00 -0.240 NA ENDBRANCH 1 12 BRANCH 5 15 ATOM 15 N LIG 1 1.860 -0.333 -0.482 0.00 0.00 -0.326 N ATOM 16 C LIG 1 2.222 -0.286 -1.924 0.00 0.00 +0.120 C ATOM 17 C LIG 1 3.368 -1.279 -2.206 0.00 0.00 +0.103 C ATOM 18 N LIG 1 4.627 -0.926 -1.511 0.00 0.00 -0.302 NA ATOM 19 C LIG 1 5.439 -2.118 -1.279 0.00 0.00 +0.105 C ATOM 20 C LIG 1 4.373 -0.176 -0.263 0.00 0.00 +0.103 C ATOM 21 C LIG 1 3.024 -0.475 0.431 0.00 0.00 +0.120 C ENDBRANCH 5 15 BRANCH 6 22 ATOM 22 N LIG 1 -0.667 -1.002 0.176 0.00 0.00 -0.280 N ATOM 23 H LIG 1 0.142 -1.559 -0.094 0.00 0.00 +0.155 HD ATOM 24 C LIG 1 -1.856 -1.615 0.480 0.00 0.00 +0.250 C ATOM 25 O LIG 1 -2.896 -1.083 0.846 0.00 0.00 -0.270 OA BRANCH 24 26 ATOM 26 C LIG 1 -1.780 -3.101 0.385 0.00 0.00 +0.065 A ATOM 27 C LIG 1 -1.588 -3.837 -0.861 0.00 0.00 +0.073 A ATOM 28 C LIG 1 -1.560 -5.184 -0.830 0.00 0.00 +0.083 A ATOM 29 C LIG 1 -1.717 -5.919 0.450 0.00 0.00 +0.249 A ATOM 30 O LIG 1 -1.673 -7.141 0.488 0.00 0.00 -0.268 OA ATOM 31 N LIG 1 -1.910 -5.139 1.562 0.00 0.00 -0.328 N ATOM 32 H LIG 1 -2.040 -5.639 2.435 0.00 0.00 +0.168 HD ATOM 33 C LIG 1 -1.951 -3.767 1.539 0.00 0.00 +0.099 A BRANCH 27 34 ATOM 34 C LIG 1 -1.462 -3.075 -2.142 0.00 0.00 +0.418 C ATOM 35 F LIG 1 -0.272 -2.426 -2.209 0.00 0.00 -0.166 F ATOM 36 F LIG 1 -1.511 -3.886 -3.232 0.00 0.00 -0.166 F ATOM 37 F LIG 1 -2.438 -2.151 -2.303 0.00 0.00 -0.166 F ENDBRANCH 27 34 ENDBRANCH 24 26 ENDBRANCH 6 22 TORSDOF 5