REMARK Name = BDB025683 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.880 -0.707 -0.682 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -0.324 0.554 -0.345 0.00 0.00 +0.056 A ATOM 3 C LIG 1 1.036 0.814 -0.551 0.00 0.00 +0.036 A ATOM 4 C LIG 1 1.888 -0.162 -1.098 0.00 0.00 +0.019 A ATOM 5 C LIG 1 1.318 -1.399 -1.430 0.00 0.00 +0.133 A ATOM 6 F LIG 1 2.079 -2.379 -1.944 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -0.036 -1.673 -1.230 0.00 0.00 +0.064 A ENDROOT BRANCH 4 8 ATOM 8 C LIG 1 3.321 0.116 -1.313 0.00 0.00 -0.011 A ATOM 9 C LIG 1 4.108 0.696 -0.302 0.00 0.00 +0.058 A ATOM 10 C LIG 1 5.469 0.949 -0.498 0.00 0.00 +0.162 A ATOM 11 O LIG 1 6.128 1.578 0.523 0.00 0.00 -0.488 OA ATOM 12 C LIG 1 7.221 0.805 1.018 0.00 0.00 +0.232 C ATOM 13 C LIG 1 8.465 0.961 0.157 0.00 0.00 +0.082 C ATOM 14 C LIG 1 8.290 0.273 -1.188 0.00 0.00 +0.232 C ATOM 15 O LIG 1 7.362 0.962 -2.026 0.00 0.00 -0.488 OA ATOM 16 C LIG 1 6.065 0.653 -1.724 0.00 0.00 +0.162 A ATOM 17 C LIG 1 5.298 0.107 -2.750 0.00 0.00 +0.050 A ATOM 18 C LIG 1 3.943 -0.172 -2.540 0.00 0.00 +0.012 A ENDBRANCH 4 8 BRANCH 1 26 ATOM 19 C LIG 1 -2.932 -3.589 2.297 0.00 0.00 +0.026 C ATOM 20 C LIG 1 -2.684 -3.052 0.883 0.00 0.00 +0.071 C ATOM 21 N LIG 1 -3.700 -3.522 -0.103 0.00 0.00 -0.297 NA ATOM 22 C LIG 1 -5.070 -3.154 0.258 0.00 0.00 +0.105 C ATOM 23 C LIG 1 -3.295 -3.021 -1.446 0.00 0.00 +0.071 C ATOM 24 C LIG 1 -4.240 -3.471 -2.568 0.00 0.00 +0.026 C ATOM 25 C LIG 1 -3.071 -1.482 -1.523 0.00 0.00 +0.123 C ATOM 26 N LIG 1 -2.249 -0.929 -0.424 0.00 0.00 -0.325 N ATOM 27 C LIG 1 -2.509 -1.510 0.917 0.00 0.00 +0.123 C ENDBRANCH 1 26 BRANCH 2 28 ATOM 28 N LIG 1 -1.235 1.504 0.168 0.00 0.00 -0.280 N ATOM 29 H LIG 1 -2.185 1.138 0.197 0.00 0.00 +0.155 HD ATOM 30 C LIG 1 -0.990 2.795 0.558 0.00 0.00 +0.250 C ATOM 31 O LIG 1 0.077 3.393 0.559 0.00 0.00 -0.270 OA BRANCH 30 32 ATOM 32 C LIG 1 -2.230 3.502 0.983 0.00 0.00 +0.065 A ATOM 33 C LIG 1 -2.904 3.262 2.253 0.00 0.00 +0.073 A ATOM 34 C LIG 1 -4.016 3.966 2.549 0.00 0.00 +0.083 A ATOM 35 C LIG 1 -4.552 4.971 1.598 0.00 0.00 +0.249 A ATOM 36 O LIG 1 -5.570 5.602 1.851 0.00 0.00 -0.268 OA ATOM 37 N LIG 1 -3.837 5.135 0.438 0.00 0.00 -0.328 N ATOM 38 H LIG 1 -4.191 5.835 -0.204 0.00 0.00 +0.168 HD ATOM 39 C LIG 1 -2.700 4.428 0.132 0.00 0.00 +0.099 A BRANCH 33 40 ATOM 40 C LIG 1 -2.323 2.260 3.200 0.00 0.00 +0.418 C ATOM 41 F LIG 1 -2.436 0.998 2.712 0.00 0.00 -0.166 F ATOM 42 F LIG 1 -1.013 2.478 3.459 0.00 0.00 -0.166 F ATOM 43 F LIG 1 -2.961 2.256 4.401 0.00 0.00 -0.166 F ENDBRANCH 33 40 ENDBRANCH 30 32 ENDBRANCH 2 28 TORSDOF 5