REMARK Name = BDB049464 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.359 0.095 -0.077 0.00 0.00 +0.234 C ATOM 2 N LIG 1 -1.220 -0.993 -0.003 0.00 0.00 -0.268 N ATOM 3 C LIG 1 -2.528 -0.962 0.513 0.00 0.00 +0.059 A ATOM 4 C LIG 1 -3.147 -2.198 0.379 0.00 0.00 +0.070 A ATOM 5 N LIG 1 -4.404 -2.480 0.775 0.00 0.00 -0.257 NA ATOM 6 C LIG 1 -5.072 -1.449 1.347 0.00 0.00 +0.121 A ATOM 7 C LIG 1 -4.543 -0.168 1.529 0.00 0.00 +0.045 A ATOM 8 C LIG 1 -2.244 -3.195 -0.314 0.00 0.00 +0.025 C ATOM 9 C LIG 1 -2.804 -3.556 -1.693 0.00 0.00 +0.019 C ATOM 10 C LIG 1 -2.042 -4.452 0.535 0.00 0.00 +0.019 C ATOM 11 C LIG 1 -3.229 0.074 1.098 0.00 0.00 +0.036 A ATOM 12 C LIG 1 -0.935 -2.375 -0.435 0.00 0.00 +0.126 C ATOM 13 O LIG 1 -0.688 1.238 0.247 0.00 0.00 -0.274 OA ENDROOT BRANCH 7 14 ATOM 14 C LIG 1 -5.385 0.923 2.159 0.00 0.00 +0.300 C ATOM 15 F LIG 1 -6.304 0.381 3.025 0.00 0.00 -0.195 F ATOM 16 F LIG 1 -4.615 1.719 2.968 0.00 0.00 -0.195 F BRANCH 14 17 ATOM 17 C LIG 1 -6.086 1.756 1.092 0.00 0.00 +0.025 A ATOM 18 C LIG 1 -7.370 1.408 0.638 0.00 0.00 +0.010 A ATOM 19 C LIG 1 -8.001 2.162 -0.353 0.00 0.00 +0.000 A ATOM 20 C LIG 1 -7.359 3.270 -0.901 0.00 0.00 +0.000 A ATOM 21 C LIG 1 -6.087 3.629 -0.460 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -5.453 2.878 0.531 0.00 0.00 +0.010 A ENDBRANCH 14 17 ENDBRANCH 7 14 BRANCH 1 23 ATOM 23 C LIG 1 1.050 -0.205 -0.640 0.00 0.00 +0.181 C BRANCH 23 30 ATOM 24 C LIG 1 2.530 -1.910 2.024 0.00 0.00 +0.025 C ATOM 25 C LIG 1 3.234 -0.559 1.864 0.00 0.00 +0.065 C ATOM 26 N LIG 1 4.458 -0.734 1.061 0.00 0.00 -0.311 NA ATOM 27 H LIG 1 5.113 0.027 1.282 0.00 0.00 +0.122 HD ATOM 28 C LIG 1 4.178 -0.663 -0.378 0.00 0.00 +0.101 C ATOM 29 C LIG 1 3.370 0.585 -0.825 0.00 0.00 +0.088 C ATOM 30 N LIG 1 2.078 0.708 -0.099 0.00 0.00 -0.287 NA ATOM 31 C LIG 1 2.280 0.568 1.361 0.00 0.00 +0.103 C BRANCH 29 32 ATOM 32 C LIG 1 4.166 1.915 -0.686 0.00 0.00 +0.128 C BRANCH 32 33 ATOM 33 N LIG 1 5.413 1.962 -1.435 0.00 0.00 -0.300 N ATOM 34 C LIG 1 6.648 1.651 -0.883 0.00 0.00 +0.216 C ATOM 35 O LIG 1 6.874 1.392 0.287 0.00 0.00 -0.276 OA ATOM 36 C LIG 1 7.657 1.617 -2.005 0.00 0.00 +0.097 C ATOM 37 C LIG 1 6.927 2.315 -3.148 0.00 0.00 +0.028 C ATOM 38 C LIG 1 5.463 2.032 -2.872 0.00 0.00 +0.108 C ENDBRANCH 32 33 ENDBRANCH 29 32 ENDBRANCH 23 30 ENDBRANCH 1 23 TORSDOF 6