REMARK Name = BDB029297 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.369 1.697 0.331 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.364 0.533 0.077 0.00 0.00 +0.251 C ATOM 3 O LIG 1 0.023 -0.562 -0.331 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.766 0.834 0.393 0.00 0.00 +0.043 A ATOM 5 C LIG 1 2.869 0.004 0.301 0.00 0.00 +0.018 A ATOM 6 C LIG 1 4.118 0.530 0.657 0.00 0.00 -0.032 A ATOM 7 C LIG 1 4.211 1.878 1.083 0.00 0.00 +0.017 A ATOM 8 C LIG 1 3.079 2.709 1.172 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.853 2.155 0.817 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.493 2.775 0.798 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -4.015 0.925 -0.400 0.00 0.00 -0.039 A ATOM 12 C LIG 1 -2.609 0.813 -0.226 0.00 0.00 +0.027 A ATOM 13 C LIG 1 -1.774 1.869 0.178 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -2.375 3.104 0.431 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -3.750 3.267 0.282 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -4.548 2.196 -0.127 0.00 0.00 +0.004 A BRANCH 11 17 ATOM 17 C LIG 1 -4.898 -0.374 -0.884 0.00 0.00 +0.005 C ATOM 18 C LIG 1 -4.678 -1.692 -0.051 0.00 0.00 +0.030 C ATOM 19 C LIG 1 -4.476 -2.493 -1.353 0.00 0.00 +0.093 C ATOM 20 C LIG 1 -4.281 -1.157 -2.106 0.00 0.00 +0.030 C BRANCH 19 21 ATOM 21 C LIG 1 -5.616 -3.283 -1.776 0.00 0.00 +0.066 C ATOM 22 N LIG 1 -6.556 -3.873 -2.115 0.00 0.00 -0.196 NA ENDBRANCH 19 21 BRANCH 17 23 ATOM 23 C LIG 1 -6.387 -0.041 -1.177 0.00 0.00 +0.088 C BRANCH 23 26 ATOM 24 C LIG 1 -9.232 -1.281 -0.880 0.00 0.00 +0.151 C ATOM 25 N LIG 1 -8.512 -0.546 0.126 0.00 0.00 -0.320 N ATOM 26 C LIG 1 -7.262 0.015 0.032 0.00 0.00 +0.134 A ATOM 27 N LIG 1 -6.987 0.596 1.183 0.00 0.00 -0.135 NA ATOM 28 N LIG 1 -8.052 0.413 2.030 0.00 0.00 -0.138 NA ATOM 29 C LIG 1 -8.959 -0.277 1.383 0.00 0.00 +0.224 A ENDBRANCH 23 26 ENDBRANCH 17 23 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 30 ATOM 30 C LIG 1 3.183 4.144 1.613 0.00 0.00 +0.418 C ATOM 31 F LIG 1 4.427 4.507 2.025 0.00 0.00 -0.166 F ATOM 32 F LIG 1 2.844 5.011 0.620 0.00 0.00 -0.166 F ATOM 33 F LIG 1 2.346 4.426 2.650 0.00 0.00 -0.166 F ENDBRANCH 8 30 BRANCH 6 34 ATOM 34 C LIG 1 5.367 -0.321 0.559 0.00 0.00 +0.116 C BRANCH 34 35 ATOM 35 N LIG 1 6.173 0.105 -0.581 0.00 0.00 -0.309 NA ATOM 36 H LIG 1 5.579 0.119 -1.411 0.00 0.00 +0.123 HD BRANCH 35 37 ATOM 37 C LIG 1 7.352 -0.711 -0.855 0.00 0.00 +0.055 C ATOM 38 C LIG 1 7.079 -2.124 -1.426 0.00 0.00 +0.028 C ATOM 39 C LIG 1 8.373 -2.856 -1.209 0.00 0.00 +0.069 C ATOM 40 C LIG 1 8.678 -3.511 0.087 0.00 0.00 +0.255 C ATOM 41 F LIG 1 7.680 -3.770 0.996 0.00 0.00 -0.205 F ATOM 42 F LIG 1 9.572 -4.553 0.141 0.00 0.00 -0.205 F ATOM 43 C LIG 1 9.157 -2.126 -0.146 0.00 0.00 +0.069 C ATOM 44 C LIG 1 8.350 -0.941 0.306 0.00 0.00 +0.028 C ENDBRANCH 35 37 ENDBRANCH 34 35 ENDBRANCH 6 34 TORSDOF 9