REMARK Name = BDB005032 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.392 -2.359 1.703 0.00 0.00 +0.033 C ATOM 2 C LIG 1 -1.068 -1.239 0.709 0.00 0.00 +0.099 C ENDROOT BRANCH 2 3 ATOM 3 C LIG 1 0.368 -0.757 0.890 0.00 0.00 -0.026 A ATOM 4 C LIG 1 1.275 -0.840 -0.181 0.00 0.00 +0.028 A ATOM 5 C LIG 1 2.606 -0.416 -0.051 0.00 0.00 +0.033 A ATOM 6 C LIG 1 3.015 0.136 1.167 0.00 0.00 +0.023 A ATOM 7 C LIG 1 2.125 0.238 2.239 0.00 0.00 +0.002 A ATOM 8 C LIG 1 0.811 -0.207 2.102 0.00 0.00 +0.005 A BRANCH 5 9 ATOM 9 N LIG 1 3.447 -0.499 -1.180 0.00 0.00 -0.299 N ATOM 10 H LIG 1 3.133 0.130 -1.917 0.00 0.00 +0.154 HD BRANCH 9 11 ATOM 11 C LIG 1 4.847 -0.492 -1.228 0.00 0.00 +0.123 A ATOM 12 N LIG 1 5.410 0.247 -2.207 0.00 0.00 -0.240 NA ATOM 13 C LIG 1 6.761 0.250 -2.301 0.00 0.00 +0.125 A ATOM 14 C LIG 1 7.602 -0.472 -1.469 0.00 0.00 +0.073 A ATOM 15 C LIG 1 7.003 -1.237 -0.467 0.00 0.00 +0.017 A ATOM 16 C LIG 1 5.614 -1.252 -0.351 0.00 0.00 +0.044 A BRANCH 14 17 ATOM 17 C LIG 1 9.085 -0.389 -1.647 0.00 0.00 +0.419 C ATOM 18 F LIG 1 9.601 0.772 -1.159 0.00 0.00 -0.166 F ATOM 19 F LIG 1 9.760 -1.391 -1.018 0.00 0.00 -0.166 F ATOM 20 F LIG 1 9.465 -0.447 -2.953 0.00 0.00 -0.166 F ENDBRANCH 14 17 ENDBRANCH 9 11 ENDBRANCH 5 9 ENDBRANCH 2 3 BRANCH 2 21 ATOM 21 N LIG 1 -1.961 -0.091 0.908 0.00 0.00 -0.322 N ATOM 22 H LIG 1 -1.526 0.758 0.555 0.00 0.00 +0.148 HD BRANCH 21 23 ATOM 23 C LIG 1 -3.252 -0.177 0.342 0.00 0.00 +0.130 A ATOM 24 C LIG 1 -4.158 0.889 0.528 0.00 0.00 +0.041 A ATOM 25 C LIG 1 -5.421 0.761 -0.082 0.00 0.00 +0.088 A ATOM 26 C LIG 1 -6.334 1.826 0.080 0.00 0.00 +0.063 A ATOM 27 C LIG 1 -6.002 2.969 0.834 0.00 0.00 +0.015 A ATOM 28 C LIG 1 -4.764 3.075 1.446 0.00 0.00 +0.002 A ATOM 29 N LIG 1 -5.725 -0.349 -0.790 0.00 0.00 -0.235 NA ATOM 30 C LIG 1 -4.800 -1.311 -0.880 0.00 0.00 +0.223 A ATOM 31 C LIG 1 -3.849 2.042 1.295 0.00 0.00 +0.013 A ATOM 32 N LIG 1 -3.580 -1.278 -0.350 0.00 0.00 -0.220 NA BRANCH 26 33 ATOM 33 C LIG 1 -7.702 1.831 -0.527 0.00 0.00 +0.244 C ATOM 34 O LIG 1 -8.451 2.797 -0.415 0.00 0.00 -0.270 OA ATOM 35 N LIG 1 -8.111 0.732 -1.220 0.00 0.00 -0.325 N ATOM 36 H LIG 1 -7.488 -0.058 -1.359 0.00 0.00 +0.145 HD ATOM 37 H LIG 1 -9.019 0.740 -1.661 0.00 0.00 +0.145 HD ENDBRANCH 26 33 ENDBRANCH 21 23 ENDBRANCH 2 21 TORSDOF 7