REMARK Name = BDB035907 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.864 0.870 -1.031 0.00 0.00 -0.013 A ATOM 2 C LIG 1 2.813 1.099 -0.222 0.00 0.00 +0.101 A ATOM 3 N LIG 1 1.513 1.250 -0.691 0.00 0.00 -0.267 N ATOM 4 C LIG 1 1.226 1.184 -2.053 0.00 0.00 +0.152 A ATOM 5 N LIG 1 0.030 1.314 -2.533 0.00 0.00 -0.236 NA ATOM 6 C LIG 1 -0.992 1.539 -1.658 0.00 0.00 +0.127 A ATOM 7 C LIG 1 -0.877 1.615 -0.327 0.00 0.00 +0.065 A ATOM 8 C LIG 1 2.377 0.954 -2.970 0.00 0.00 +0.098 A ATOM 9 C LIG 1 0.491 1.451 0.238 0.00 0.00 +0.266 A ATOM 10 O LIG 1 0.664 1.482 1.458 0.00 0.00 -0.267 OA ATOM 11 C LIG 1 3.611 0.816 -2.455 0.00 0.00 +0.022 A ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 -2.054 1.871 0.519 0.00 0.00 -0.011 A ATOM 13 C LIG 1 -3.140 0.976 0.524 0.00 0.00 +0.013 A ATOM 14 C LIG 1 -4.291 1.179 1.317 0.00 0.00 -0.033 A ATOM 15 C LIG 1 -4.297 2.352 2.103 0.00 0.00 +0.004 A ATOM 16 C LIG 1 -3.228 3.250 2.116 0.00 0.00 +0.001 A ATOM 17 C LIG 1 -2.107 3.007 1.329 0.00 0.00 +0.009 A BRANCH 14 18 ATOM 18 C LIG 1 -5.537 0.153 1.363 0.00 0.00 +0.056 C ATOM 19 C LIG 1 -6.873 0.689 0.721 0.00 0.00 +0.022 C ATOM 20 C LIG 1 -6.471 -0.043 -0.582 0.00 0.00 -0.012 C ATOM 21 C LIG 1 -7.595 -0.662 -1.386 0.00 0.00 +0.007 C ATOM 22 C LIG 1 -5.645 -1.004 0.307 0.00 0.00 +0.022 C BRANCH 18 23 ATOM 23 C LIG 1 -5.731 -0.390 2.837 0.00 0.00 +0.144 A ATOM 24 N LIG 1 -4.830 -1.097 3.585 0.00 0.00 -0.320 N ATOM 25 C LIG 1 -3.506 -1.513 3.215 0.00 0.00 +0.151 C ATOM 26 C LIG 1 -5.433 -1.324 4.784 0.00 0.00 +0.224 A ATOM 27 N LIG 1 -6.632 -0.791 4.779 0.00 0.00 -0.138 NA ATOM 28 N LIG 1 -6.819 -0.197 3.554 0.00 0.00 -0.134 NA ENDBRANCH 18 23 ENDBRANCH 14 18 ENDBRANCH 7 12 BRANCH 8 29 ATOM 29 C LIG 1 2.060 0.897 -4.423 0.00 0.00 +0.421 C ATOM 30 F LIG 1 3.183 0.688 -5.170 0.00 0.00 -0.166 F ATOM 31 F LIG 1 1.215 -0.117 -4.739 0.00 0.00 -0.166 F ATOM 32 F LIG 1 1.518 2.050 -4.891 0.00 0.00 -0.166 F ENDBRANCH 8 29 BRANCH 1 34 ATOM 33 C LIG 1 6.410 1.227 -1.362 0.00 0.00 +0.029 C ATOM 34 C LIG 1 5.274 0.730 -0.458 0.00 0.00 +0.083 C BRANCH 34 35 ATOM 35 N LIG 1 5.508 -0.562 0.205 0.00 0.00 -0.304 NA ATOM 36 H LIG 1 4.712 -0.784 0.802 0.00 0.00 +0.123 HD BRANCH 35 37 ATOM 37 C LIG 1 5.994 -1.698 -0.587 0.00 0.00 +0.017 C ATOM 38 C LIG 1 6.249 -2.849 0.444 0.00 0.00 +0.022 C ATOM 39 C LIG 1 7.600 -3.093 -0.258 0.00 0.00 +0.004 C ATOM 40 C LIG 1 7.541 -1.628 -0.735 0.00 0.00 +0.022 C ATOM 41 C LIG 1 5.146 -2.123 -1.768 0.00 0.00 +0.027 C ENDBRANCH 35 37 ENDBRANCH 34 35 ENDBRANCH 1 34 TORSDOF 7