REMARK Name = BDB038432 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.936 2.985 -0.286 0.00 0.00 +0.217 A ATOM 2 N LIG 1 0.176 2.261 -0.037 0.00 0.00 -0.198 NA ATOM 3 C LIG 1 0.015 0.966 0.315 0.00 0.00 +0.132 A ATOM 4 C LIG 1 -1.247 0.408 0.473 0.00 0.00 +0.052 A ATOM 5 C LIG 1 -2.395 1.163 0.201 0.00 0.00 -0.009 A ATOM 6 C LIG 1 -2.223 2.490 -0.186 0.00 0.00 +0.075 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 1.185 0.208 0.506 0.00 0.00 -0.248 N ATOM 8 C LIG 1 1.282 -1.156 0.750 0.00 0.00 +0.253 C ATOM 9 O LIG 1 0.420 -2.006 0.880 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 2.718 -1.462 0.827 0.00 0.00 +0.043 A ATOM 11 C LIG 1 3.332 -2.676 1.070 0.00 0.00 +0.019 A ATOM 12 C LIG 1 4.734 -2.718 1.086 0.00 0.00 -0.021 A ATOM 13 C LIG 1 5.465 -1.524 0.875 0.00 0.00 +0.018 A ATOM 14 C LIG 1 4.825 -0.292 0.626 0.00 0.00 +0.061 A ATOM 15 C LIG 1 3.434 -0.289 0.606 0.00 0.00 -0.006 A ATOM 16 C LIG 1 2.484 0.842 0.365 0.00 0.00 +0.151 C BRANCH 14 17 ATOM 17 C LIG 1 5.607 0.974 0.394 0.00 0.00 +0.418 C ATOM 18 F LIG 1 6.956 0.797 0.429 0.00 0.00 -0.166 F ATOM 19 F LIG 1 5.329 1.927 1.326 0.00 0.00 -0.166 F ATOM 20 F LIG 1 5.331 1.539 -0.812 0.00 0.00 -0.166 F ENDBRANCH 14 17 BRANCH 12 21 ATOM 21 C LIG 1 5.460 -4.007 1.377 0.00 0.00 +0.191 C BRANCH 21 22 ATOM 22 O LIG 1 4.824 -5.085 0.705 0.00 0.00 -0.390 OA ATOM 23 H LIG 1 5.340 -5.883 0.905 0.00 0.00 +0.210 HD ENDBRANCH 21 22 ENDBRANCH 12 21 ENDBRANCH 3 7 BRANCH 5 24 ATOM 24 C LIG 1 -3.736 0.562 0.316 0.00 0.00 -0.007 A ATOM 25 C LIG 1 -4.175 -0.490 -0.525 0.00 0.00 +0.028 A ATOM 26 C LIG 1 -5.463 -1.029 -0.363 0.00 0.00 +0.031 A ATOM 27 C LIG 1 -6.319 -0.543 0.629 0.00 0.00 +0.052 A ATOM 28 C LIG 1 -5.892 0.490 1.464 0.00 0.00 +0.019 A ATOM 29 C LIG 1 -4.616 1.037 1.307 0.00 0.00 +0.010 A BRANCH 25 30 ATOM 30 C LIG 1 -3.336 -1.011 -1.601 0.00 0.00 +0.164 A ATOM 31 N LIG 1 -2.619 -2.182 -1.570 0.00 0.00 -0.317 N ATOM 32 C LIG 1 -2.537 -3.144 -0.504 0.00 0.00 +0.152 C ATOM 33 C LIG 1 -1.967 -2.263 -2.762 0.00 0.00 +0.225 A ATOM 34 N LIG 1 -2.273 -1.224 -3.501 0.00 0.00 -0.138 NA ATOM 35 N LIG 1 -3.132 -0.435 -2.771 0.00 0.00 -0.129 NA ENDBRANCH 25 30 BRANCH 27 36 ATOM 36 C LIG 1 -7.629 -1.104 0.788 0.00 0.00 +0.099 C ATOM 37 N LIG 1 -8.684 -1.567 0.924 0.00 0.00 -0.191 NA ENDBRANCH 27 36 ENDBRANCH 5 24 BRANCH 1 38 ATOM 38 O LIG 1 -0.824 4.312 -0.655 0.00 0.00 -0.477 OA BRANCH 38 40 ATOM 39 C LIG 1 0.502 6.185 -1.294 0.00 0.00 +0.048 C ATOM 40 C LIG 1 0.526 4.734 -0.848 0.00 0.00 +0.227 C ENDBRANCH 38 40 ENDBRANCH 1 38 TORSDOF 9