REMARK Name = BDB038476 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.576 -1.733 0.039 0.00 0.00 -0.015 A ATOM 2 C LIG 1 -0.560 -0.823 0.387 0.00 0.00 +0.032 A ATOM 3 C LIG 1 0.695 -0.827 -0.234 0.00 0.00 +0.038 A ATOM 4 C LIG 1 0.943 -1.821 -1.190 0.00 0.00 +0.038 A ATOM 5 C LIG 1 -0.046 -2.755 -1.537 0.00 0.00 +0.061 A ATOM 6 C LIG 1 -1.303 -2.704 -0.929 0.00 0.00 +0.023 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 1.684 0.144 0.085 0.00 0.00 -0.263 N ATOM 8 C LIG 1 1.512 1.269 0.900 0.00 0.00 +0.251 C ATOM 9 O LIG 1 0.535 1.689 1.496 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 2.801 1.971 0.935 0.00 0.00 +0.042 A ATOM 11 C LIG 1 3.142 3.122 1.622 0.00 0.00 +0.013 A ATOM 12 C LIG 1 4.449 3.590 1.487 0.00 0.00 +0.001 A ATOM 13 C LIG 1 5.374 2.905 0.677 0.00 0.00 +0.013 A ATOM 14 C LIG 1 5.013 1.735 -0.018 0.00 0.00 +0.060 A ATOM 15 C LIG 1 3.704 1.283 0.130 0.00 0.00 -0.006 A ATOM 16 C LIG 1 3.029 0.095 -0.476 0.00 0.00 +0.150 C BRANCH 14 17 ATOM 17 C LIG 1 5.995 0.995 -0.887 0.00 0.00 +0.418 C ATOM 18 F LIG 1 5.567 0.894 -2.175 0.00 0.00 -0.166 F ATOM 19 F LIG 1 7.225 1.573 -0.941 0.00 0.00 -0.166 F ATOM 20 F LIG 1 6.194 -0.282 -0.461 0.00 0.00 -0.166 F ENDBRANCH 14 17 ENDBRANCH 3 7 BRANCH 1 22 ATOM 21 C LIG 1 -3.799 -0.585 0.420 0.00 0.00 +0.027 A ATOM 22 C LIG 1 -2.903 -1.650 0.674 0.00 0.00 -0.007 A ATOM 23 C LIG 1 -3.299 -2.657 1.574 0.00 0.00 +0.009 A ATOM 24 C LIG 1 -4.544 -2.613 2.205 0.00 0.00 +0.001 A ATOM 25 C LIG 1 -5.420 -1.565 1.945 0.00 0.00 +0.001 A ATOM 26 C LIG 1 -5.052 -0.556 1.055 0.00 0.00 +0.012 A BRANCH 21 29 ATOM 27 C LIG 1 -2.796 2.262 1.155 0.00 0.00 +0.152 C ATOM 28 N LIG 1 -3.017 1.738 -0.166 0.00 0.00 -0.317 N ATOM 29 C LIG 1 -3.467 0.488 -0.514 0.00 0.00 +0.164 A ATOM 30 N LIG 1 -3.533 0.427 -1.832 0.00 0.00 -0.129 NA ATOM 31 N LIG 1 -3.118 1.635 -2.345 0.00 0.00 -0.138 NA ATOM 32 C LIG 1 -2.804 2.406 -1.332 0.00 0.00 +0.225 A ENDBRANCH 21 29 ENDBRANCH 1 22 BRANCH 5 33 ATOM 33 C LIG 1 0.288 -3.770 -2.565 0.00 0.00 +0.337 C ATOM 34 O LIG 1 1.351 -3.860 -3.151 0.00 0.00 -0.245 OA BRANCH 33 35 ATOM 35 O LIG 1 -0.716 -4.631 -2.800 0.00 0.00 -0.477 OA ATOM 36 H LIG 1 -0.369 -5.220 -3.502 0.00 0.00 +0.295 HD ENDBRANCH 33 35 ENDBRANCH 5 33 TORSDOF 6