REMARK Name = BDB025698 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.813 -0.742 0.493 0.00 0.00 +0.021 A ATOM 2 C LIG 1 1.198 -1.933 0.073 0.00 0.00 +0.133 A ATOM 3 F LIG 1 1.908 -3.070 -0.004 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -0.148 -1.987 -0.285 0.00 0.00 +0.064 A ATOM 5 C LIG 1 -0.932 -0.832 -0.238 0.00 0.00 +0.054 A ATOM 6 C LIG 1 -0.334 0.380 0.177 0.00 0.00 +0.056 A ATOM 7 C LIG 1 1.017 0.417 0.541 0.00 0.00 +0.036 A ENDROOT BRANCH 5 8 ATOM 8 N LIG 1 -2.305 -0.822 -0.584 0.00 0.00 -0.325 N ATOM 9 C LIG 1 -2.580 -1.210 -1.990 0.00 0.00 +0.123 C ATOM 10 C LIG 1 -3.500 -2.461 -2.109 0.00 0.00 +0.071 C ATOM 11 C LIG 1 -3.743 -2.735 -3.600 0.00 0.00 +0.026 C ATOM 12 N LIG 1 -4.788 -2.295 -1.384 0.00 0.00 -0.297 NA ATOM 13 C LIG 1 -5.510 -3.562 -1.244 0.00 0.00 +0.105 C ATOM 14 C LIG 1 -4.611 -1.646 -0.056 0.00 0.00 +0.071 C ATOM 15 C LIG 1 -5.292 -0.273 -0.110 0.00 0.00 +0.026 C ATOM 16 C LIG 1 -3.138 -1.522 0.418 0.00 0.00 +0.123 C ENDBRANCH 5 8 BRANCH 1 20 ATOM 17 C LIG 1 5.916 -0.534 1.527 0.00 0.00 +0.215 A ATOM 18 N LIG 1 5.415 0.400 0.696 0.00 0.00 -0.221 NA ATOM 19 C LIG 1 4.097 0.296 0.394 0.00 0.00 +0.123 A ATOM 20 C LIG 1 3.237 -0.698 0.869 0.00 0.00 +0.003 A ATOM 21 C LIG 1 3.813 -1.645 1.724 0.00 0.00 +0.015 A ATOM 22 C LIG 1 5.165 -1.568 2.058 0.00 0.00 +0.068 A BRANCH 17 23 ATOM 23 O LIG 1 7.251 -0.509 1.873 0.00 0.00 -0.474 OA BRANCH 23 24 ATOM 24 C LIG 1 7.973 0.628 1.381 0.00 0.00 +0.258 C BRANCH 24 25 ATOM 25 C LIG 1 8.426 0.451 -0.072 0.00 0.00 +0.200 C BRANCH 25 27 ATOM 26 C LIG 1 9.378 -1.735 0.026 0.00 0.00 +0.194 C ATOM 27 O LIG 1 9.611 -0.350 -0.193 0.00 0.00 -0.380 OA ENDBRANCH 25 27 ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 17 23 ENDBRANCH 1 20 BRANCH 6 28 ATOM 28 N LIG 1 -1.189 1.501 0.189 0.00 0.00 -0.280 N ATOM 29 H LIG 1 -2.137 1.254 -0.097 0.00 0.00 +0.155 HD ATOM 30 C LIG 1 -0.878 2.805 0.473 0.00 0.00 +0.250 C ATOM 31 O LIG 1 0.220 3.270 0.748 0.00 0.00 -0.270 OA BRANCH 30 32 ATOM 32 C LIG 1 -2.060 3.706 0.360 0.00 0.00 +0.065 A ATOM 33 C LIG 1 -3.178 3.699 1.297 0.00 0.00 +0.073 A ATOM 34 C LIG 1 -4.199 4.559 1.107 0.00 0.00 +0.083 A ATOM 35 C LIG 1 -4.192 5.503 -0.038 0.00 0.00 +0.249 A ATOM 36 O LIG 1 -5.121 6.277 -0.226 0.00 0.00 -0.268 OA ATOM 37 N LIG 1 -3.087 5.446 -0.850 0.00 0.00 -0.328 N ATOM 38 H LIG 1 -3.072 6.103 -1.622 0.00 0.00 +0.168 HD ATOM 39 C LIG 1 -2.040 4.578 -0.661 0.00 0.00 +0.099 A BRANCH 33 40 ATOM 40 C LIG 1 -3.139 2.762 2.463 0.00 0.00 +0.418 C ATOM 41 F LIG 1 -3.277 1.471 2.067 0.00 0.00 -0.166 F ATOM 42 F LIG 1 -4.147 2.994 3.345 0.00 0.00 -0.166 F ATOM 43 F LIG 1 -1.986 2.848 3.166 0.00 0.00 -0.166 F ENDBRANCH 33 40 ENDBRANCH 30 32 ENDBRANCH 6 28 TORSDOF 9