REMARK Name = BDB035631 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.319 0.508 -1.169 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.884 0.998 -1.692 0.00 0.00 +0.251 C ATOM 3 O LIG 1 1.111 1.900 -2.477 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.965 0.203 -1.099 0.00 0.00 +0.043 A ATOM 5 C LIG 1 3.329 0.311 -1.304 0.00 0.00 +0.018 A ATOM 6 C LIG 1 4.168 -0.572 -0.612 0.00 0.00 -0.032 A ATOM 7 C LIG 1 3.603 -1.525 0.272 0.00 0.00 +0.017 A ATOM 8 C LIG 1 2.213 -1.621 0.469 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.406 -0.735 -0.240 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -0.081 -0.590 -0.241 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -4.085 0.825 -1.118 0.00 0.00 -0.032 A ATOM 12 C LIG 1 -2.757 0.412 -0.850 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -1.628 0.971 -1.481 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -1.846 1.985 -2.416 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -3.138 2.418 -2.714 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -4.234 1.845 -2.076 0.00 0.00 +0.005 A BRANCH 11 17 ATOM 17 C LIG 1 -5.366 0.196 -0.385 0.00 0.00 +0.060 C ATOM 18 C LIG 1 -5.230 -1.151 0.397 0.00 0.00 +0.051 C ATOM 19 C LIG 1 -6.608 -1.578 -0.163 0.00 0.00 +0.122 C ATOM 20 C LIG 1 -6.358 -0.585 -1.319 0.00 0.00 +0.051 C BRANCH 17 23 ATOM 21 C LIG 1 -4.185 2.117 1.941 0.00 0.00 +0.151 C ATOM 22 N LIG 1 -5.545 2.089 1.479 0.00 0.00 -0.320 N ATOM 23 C LIG 1 -6.092 1.302 0.501 0.00 0.00 +0.144 A ATOM 24 N LIG 1 -7.376 1.580 0.404 0.00 0.00 -0.134 NA ATOM 25 N LIG 1 -7.671 2.560 1.320 0.00 0.00 -0.138 NA ATOM 26 C LIG 1 -6.562 2.858 1.954 0.00 0.00 +0.224 A ENDBRANCH 17 23 BRANCH 19 27 ATOM 27 O LIG 1 -6.734 -2.963 -0.558 0.00 0.00 -0.362 OA BRANCH 27 28 ATOM 28 C LIG 1 -7.136 -3.886 0.464 0.00 0.00 +0.278 C BRANCH 28 29 ATOM 29 C LIG 1 -6.051 -4.167 1.416 0.00 0.00 +0.091 C ATOM 30 N LIG 1 -5.196 -4.365 2.177 0.00 0.00 -0.194 NA ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 19 27 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 31 ATOM 31 C LIG 1 1.613 -2.631 1.410 0.00 0.00 +0.418 C ATOM 32 F LIG 1 2.527 -3.422 2.031 0.00 0.00 -0.166 F ATOM 33 F LIG 1 0.751 -3.472 0.775 0.00 0.00 -0.166 F ATOM 34 F LIG 1 0.888 -2.038 2.399 0.00 0.00 -0.166 F ENDBRANCH 8 31 BRANCH 6 35 ATOM 35 C LIG 1 5.671 -0.492 -0.778 0.00 0.00 +0.116 C BRANCH 35 36 ATOM 36 N LIG 1 6.278 0.102 0.414 0.00 0.00 -0.307 NA ATOM 37 H LIG 1 5.788 0.973 0.619 0.00 0.00 +0.123 HD BRANCH 36 38 ATOM 38 C LIG 1 7.737 0.257 0.278 0.00 0.00 +0.017 C ATOM 39 C LIG 1 8.064 1.452 -0.662 0.00 0.00 +0.022 C ATOM 40 C LIG 1 9.043 1.955 0.420 0.00 0.00 +0.004 C ATOM 41 C LIG 1 8.214 1.163 1.454 0.00 0.00 +0.022 C ATOM 42 C LIG 1 8.507 -1.042 0.117 0.00 0.00 +0.027 C ENDBRANCH 36 38 ENDBRANCH 35 36 ENDBRANCH 6 35 TORSDOF 10