REMARK Name = BDB025870 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.683 0.610 0.328 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -0.707 0.895 0.427 0.00 0.00 +0.056 A ATOM 3 C LIG 1 -1.190 2.196 0.237 0.00 0.00 +0.036 A ATOM 4 C LIG 1 -0.314 3.262 -0.021 0.00 0.00 +0.021 A ATOM 5 C LIG 1 1.056 2.974 -0.067 0.00 0.00 +0.133 A ATOM 6 F LIG 1 1.943 3.954 -0.304 0.00 0.00 -0.205 F ATOM 7 C LIG 1 1.551 1.678 0.102 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 4.777 -1.662 1.101 0.00 0.00 +0.026 C ATOM 9 C LIG 1 3.616 -1.157 0.229 0.00 0.00 +0.071 C ATOM 10 N LIG 1 3.383 -2.027 -0.963 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 4.559 -2.057 -1.840 0.00 0.00 +0.105 C ATOM 12 C LIG 1 2.171 -1.550 -1.693 0.00 0.00 +0.071 C ATOM 13 C LIG 1 1.832 -2.421 -2.913 0.00 0.00 +0.026 C ATOM 14 C LIG 1 0.920 -1.537 -0.774 0.00 0.00 +0.123 C ATOM 15 N LIG 1 1.112 -0.725 0.447 0.00 0.00 -0.325 N ATOM 16 C LIG 1 2.368 -1.032 1.153 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 -0.822 4.626 -0.227 0.00 0.00 +0.003 A ATOM 18 C LIG 1 -1.819 4.907 -1.165 0.00 0.00 +0.122 A ATOM 19 N LIG 1 -2.335 6.136 -1.408 0.00 0.00 -0.227 NA ATOM 20 C LIG 1 -1.837 7.148 -0.673 0.00 0.00 +0.213 A ATOM 21 F LIG 1 -2.332 8.376 -0.889 0.00 0.00 -0.184 F ATOM 22 C LIG 1 -0.852 6.995 0.284 0.00 0.00 +0.060 A ATOM 23 C LIG 1 -0.338 5.718 0.506 0.00 0.00 +0.014 A ENDBRANCH 4 17 BRANCH 2 24 ATOM 24 N LIG 1 -1.532 -0.197 0.775 0.00 0.00 -0.280 N ATOM 25 H LIG 1 -0.995 -1.045 0.945 0.00 0.00 +0.155 HD ATOM 26 C LIG 1 -2.894 -0.215 0.955 0.00 0.00 +0.250 C ATOM 27 O LIG 1 -3.691 0.706 0.824 0.00 0.00 -0.270 OA BRANCH 26 28 ATOM 28 C LIG 1 -3.379 -1.554 1.386 0.00 0.00 +0.065 A ATOM 29 C LIG 1 -3.691 -2.629 0.449 0.00 0.00 +0.073 A ATOM 30 C LIG 1 -4.122 -3.813 0.930 0.00 0.00 +0.083 A ATOM 31 C LIG 1 -4.272 -4.025 2.394 0.00 0.00 +0.249 A ATOM 32 O LIG 1 -4.653 -5.099 2.842 0.00 0.00 -0.268 OA ATOM 33 N LIG 1 -3.950 -2.953 3.192 0.00 0.00 -0.328 N ATOM 34 H LIG 1 -4.065 -3.094 4.191 0.00 0.00 +0.168 HD ATOM 35 C LIG 1 -3.518 -1.742 2.710 0.00 0.00 +0.099 A BRANCH 29 36 ATOM 36 C LIG 1 -3.520 -2.374 -1.017 0.00 0.00 +0.418 C ATOM 37 F LIG 1 -3.897 -3.440 -1.770 0.00 0.00 -0.166 F ATOM 38 F LIG 1 -2.218 -2.134 -1.331 0.00 0.00 -0.166 F ATOM 39 F LIG 1 -4.243 -1.315 -1.455 0.00 0.00 -0.166 F ENDBRANCH 29 36 ENDBRANCH 26 28 ENDBRANCH 2 24 TORSDOF 5