REMARK Name = BDB025816 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.639 -0.694 -0.131 0.00 0.00 +0.022 A ATOM 2 C LIG 1 0.032 -1.929 -0.407 0.00 0.00 +0.133 A ATOM 3 F LIG 1 0.784 -3.028 -0.571 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -1.352 -2.073 -0.507 0.00 0.00 +0.064 A ATOM 5 C LIG 1 -2.187 -0.969 -0.331 0.00 0.00 +0.054 A ATOM 6 C LIG 1 -1.601 0.289 -0.059 0.00 0.00 +0.056 A ATOM 7 C LIG 1 -0.210 0.417 0.038 0.00 0.00 +0.036 A ENDROOT BRANCH 5 8 ATOM 8 N LIG 1 -3.596 -1.052 -0.415 0.00 0.00 -0.326 N ATOM 9 C LIG 1 -4.110 -1.435 -1.756 0.00 0.00 +0.123 C ATOM 10 C LIG 1 -4.760 -2.850 -1.776 0.00 0.00 +0.071 C ATOM 11 C LIG 1 -5.297 -3.132 -3.183 0.00 0.00 +0.026 C ATOM 12 N LIG 1 -5.859 -3.019 -0.784 0.00 0.00 -0.300 NA ATOM 13 C LIG 1 -5.996 -4.420 -0.380 0.00 0.00 +0.105 C ATOM 14 C LIG 1 -5.664 -2.150 0.401 0.00 0.00 +0.103 C ATOM 15 C LIG 1 -4.189 -1.818 0.707 0.00 0.00 +0.120 C ENDBRANCH 5 8 BRANCH 1 19 ATOM 16 C LIG 1 4.847 -0.286 0.183 0.00 0.00 +0.218 A ATOM 17 N LIG 1 4.064 0.362 1.058 0.00 0.00 -0.222 NA ATOM 18 C LIG 1 2.725 0.215 0.937 0.00 0.00 +0.124 A ATOM 19 C LIG 1 2.099 -0.556 -0.022 0.00 0.00 +0.021 A ATOM 20 C LIG 1 2.996 -1.179 -0.866 0.00 0.00 +0.124 A ATOM 21 N LIG 1 4.341 -1.062 -0.788 0.00 0.00 -0.222 NA BRANCH 16 28 ATOM 22 C LIG 1 8.637 2.649 1.162 0.00 0.00 +0.039 C ATOM 23 C LIG 1 8.018 1.517 0.353 0.00 0.00 +0.133 C ATOM 24 O LIG 1 9.034 0.520 0.163 0.00 0.00 -0.371 OA ATOM 25 C LIG 1 8.538 -0.745 -0.314 0.00 0.00 +0.133 C ATOM 26 C LIG 1 8.816 -1.788 0.766 0.00 0.00 +0.039 C ATOM 27 C LIG 1 7.053 -0.742 -0.749 0.00 0.00 +0.139 C ATOM 28 N LIG 1 6.214 -0.168 0.298 0.00 0.00 -0.295 N ATOM 29 C LIG 1 6.761 0.959 1.054 0.00 0.00 +0.139 C ENDBRANCH 16 28 ENDBRANCH 1 19 BRANCH 6 30 ATOM 30 N LIG 1 -2.508 1.360 0.092 0.00 0.00 -0.280 N ATOM 31 H LIG 1 -3.474 1.054 -0.021 0.00 0.00 +0.155 HD ATOM 32 C LIG 1 -2.229 2.682 0.328 0.00 0.00 +0.250 C ATOM 33 O LIG 1 -1.127 3.201 0.451 0.00 0.00 -0.270 OA BRANCH 32 34 ATOM 34 C LIG 1 -3.454 3.529 0.376 0.00 0.00 +0.065 A ATOM 35 C LIG 1 -4.460 3.455 1.431 0.00 0.00 +0.073 A ATOM 36 C LIG 1 -5.521 4.287 1.387 0.00 0.00 +0.083 A ATOM 37 C LIG 1 -5.672 5.266 0.282 0.00 0.00 +0.249 A ATOM 38 O LIG 1 -6.638 6.014 0.226 0.00 0.00 -0.268 OA ATOM 39 N LIG 1 -4.666 5.270 -0.651 0.00 0.00 -0.328 N ATOM 40 H LIG 1 -4.757 5.952 -1.396 0.00 0.00 +0.168 HD ATOM 41 C LIG 1 -3.578 4.433 -0.609 0.00 0.00 +0.099 A BRANCH 35 42 ATOM 42 C LIG 1 -4.268 2.481 2.550 0.00 0.00 +0.418 C ATOM 43 F LIG 1 -4.444 1.204 2.124 0.00 0.00 -0.166 F ATOM 44 F LIG 1 -3.036 2.557 3.106 0.00 0.00 -0.166 F ATOM 45 F LIG 1 -5.160 2.669 3.558 0.00 0.00 -0.166 F ENDBRANCH 35 42 ENDBRANCH 32 34 ENDBRANCH 6 30 TORSDOF 6