REMARK Name = BDB035451 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.360 -0.792 0.420 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.821 -1.440 0.799 0.00 0.00 +0.251 C ATOM 3 O LIG 1 1.025 -2.325 1.609 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.905 -0.857 -0.002 0.00 0.00 +0.043 A ATOM 5 C LIG 1 3.253 -1.163 0.015 0.00 0.00 +0.018 A ATOM 6 C LIG 1 4.098 -0.466 -0.860 0.00 0.00 -0.032 A ATOM 7 C LIG 1 3.556 0.529 -1.709 0.00 0.00 +0.017 A ATOM 8 C LIG 1 2.180 0.832 -1.711 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.366 0.113 -0.839 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -0.109 0.203 -0.616 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -4.097 -0.511 0.919 0.00 0.00 -0.032 A ATOM 12 C LIG 1 -2.771 -0.315 0.455 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -1.662 -1.032 0.940 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -1.896 -1.977 1.940 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -3.183 -2.198 2.431 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -4.264 -1.477 1.925 0.00 0.00 +0.005 A BRANCH 11 17 ATOM 17 C LIG 1 -5.312 0.330 0.294 0.00 0.00 +0.056 C ATOM 18 C LIG 1 -5.269 1.879 0.573 0.00 0.00 +0.025 C ATOM 19 C LIG 1 -6.814 1.861 0.675 0.00 0.00 +0.017 C ATOM 20 C LIG 1 -6.703 0.354 1.020 0.00 0.00 +0.025 C BRANCH 17 23 ATOM 21 C LIG 1 -5.904 -2.497 -1.148 0.00 0.00 +0.151 C ATOM 22 N LIG 1 -5.708 -1.239 -1.813 0.00 0.00 -0.320 N ATOM 23 C LIG 1 -5.455 -0.017 -1.252 0.00 0.00 +0.144 A ATOM 24 N LIG 1 -5.306 0.869 -2.216 0.00 0.00 -0.134 NA ATOM 25 N LIG 1 -5.475 0.224 -3.417 0.00 0.00 -0.138 NA ATOM 26 C LIG 1 -5.714 -1.040 -3.159 0.00 0.00 +0.224 A ENDBRANCH 17 23 BRANCH 19 27 ATOM 27 C LIG 1 -7.496 2.776 1.676 0.00 0.00 +0.159 C BRANCH 27 28 ATOM 28 O LIG 1 -6.962 2.588 2.980 0.00 0.00 -0.395 OA ATOM 29 H LIG 1 -6.122 3.078 3.025 0.00 0.00 +0.209 HD ENDBRANCH 27 28 ENDBRANCH 19 27 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 30 ATOM 30 C LIG 1 1.603 1.884 -2.619 0.00 0.00 +0.418 C ATOM 31 F LIG 1 0.915 2.837 -1.932 0.00 0.00 -0.166 F ATOM 32 F LIG 1 2.538 2.549 -3.350 0.00 0.00 -0.166 F ATOM 33 F LIG 1 0.723 1.361 -3.516 0.00 0.00 -0.166 F ENDBRANCH 8 30 BRANCH 6 34 ATOM 34 C LIG 1 5.585 -0.750 -0.864 0.00 0.00 +0.116 C BRANCH 34 35 ATOM 35 N LIG 1 6.234 -0.066 0.254 0.00 0.00 -0.307 NA ATOM 36 H LIG 1 5.922 0.905 0.266 0.00 0.00 +0.123 HD BRANCH 35 37 ATOM 37 C LIG 1 7.697 -0.229 0.236 0.00 0.00 +0.017 C ATOM 38 C LIG 1 8.324 0.680 -0.859 0.00 0.00 +0.022 C ATOM 39 C LIG 1 9.320 1.176 0.210 0.00 0.00 +0.004 C ATOM 40 C LIG 1 8.284 0.770 1.280 0.00 0.00 +0.022 C ATOM 41 C LIG 1 8.184 -1.661 0.375 0.00 0.00 +0.027 C ENDBRANCH 35 37 ENDBRANCH 34 35 ENDBRANCH 6 34 TORSDOF 9